Compound Groups

This group has not been assigned a structural definition yet.

This compound group has not yet been assigned a structural definition.

This compound group is defined by the SMILES/SMARTS string "[Co]" and populated from a substructure search of PubChem.. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

This compound group has not yet been assigned a structural definition.

This compound group has not yet been assigned a structural definition.

This compound group includes a list of dyes associated with the Color Index list and associated identifiers. It is mainly populated from Comptox's "LIST: Color Index (C.I.) Dyes" and a few others manually added.

List extracted from Annex 1 of 

Dossier prepared in support for a nomination of PFOS to the UN-ECE LRTAP Protocol and the Stockholm Convention

The dossier is prepared by the Swedish Chemicals Inspectorate (KemI) and the Swedish EPA, Sweden August 2004

This group has not been assigned a structural definition yet.

This compound group is populated with copper metal, and a limited number of copper salts and alloys.

Tar Oils derived from coal and/or wood by distillation or by other processes.

ECHA group: https://echa.europa.eu/substance-information/-/substanceinfo/100.240.872

This compound group has not yet been assigned a structural definition.

This compound group was populated from existing compound groups for the Cradle to Cradle (C2C) RSL.

The various forms of crystalline silica are: α-quartz, β-quartz, α-tridymite, β-tridymite, α-cristobalite, β-cristobalite, keatite, coesite, stishovite, and moganite. NIOSH (2002)....Keatite, coesite, stishovite, and moganite are rarely found in nature. The most commonly occurring polymorphs are quartz, cristobalite and tridymite, which are found in rocks and soil. 

NIOSH Hazard Review: Health Effects of Occupational Exposure to Respirable Crystalline Silica (DHHS (NIOSH) Publication No. 2002–129). Cincinnati, OH, 145 pp.

From https://www.ncbi.nlm.nih.gov/books/NBK304370/#

This compound group includes both commercially relevant compounds such as Hydrogen Cyanide, Sodium Cyanide, Potassium Cyanide, and Calcium Cyanide, as well as cyanide salts that are less common. 

This group hasn't been assigned a structural definition yet.

This group hasn't been assigned a structural definition yet.

This group hasn't been assigned a structural definition yet.

This group is populated from the list at https://biomonitoring.ca.gov/chemicals

This compound group is defined by the SMILES string 'C1CCC2C(C1)C(=O)OC2=O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

ECHA chemical group parent: all possible combinations of the cis- and trans-isomers

This compound group is defined by the SMILES string 'C=[N+]=[N-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

This group has not been assigned a structural definition yet.

This compound group is defined by the SMILES string 'CCCC[Sn]CCCC.CCCC[Sn]CCCC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

see Agency for Toxic Substances and Disease Registry's Complete Toxicological Profile of Dichloropropenes

Dicofol is an organochlorine pesticide comprising two isomers: p,p′-dicofol and o,p′-dicofol. The technical product (95% pure) is a brown viscous oil and is composed of 80-85% p,p′-dicofol and 15-20% o,p’-dicofol with up to 18 reported impurities.

This group is populated from the list at https://biomonitoring.ca.gov/chemicals

This group is populated from the list at https://biomonitoring.ca.gov/chemicals

This compound group is from the C2C V4 RSL.

This compound group was populated using a list of chemicals that are reportable under the MA Toxics Use Reduction Act (TURA). See https://www.mass.gov/guides/massdep-toxics-use-reduction-program#-listed-chemicals- for more information.

This compound group has not yet been assigned a structural definition.

This compound group is defined by the SMILES string '[CH3][As](=O)([CH3])O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

This compound group is defined by the SMILES string '[CH3][Sn]([CH3])', then subtracting compounds with 3+ methyl ligands. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

This compound group is defined by the SMILES string '[CH3]C1=[CH]C(=[CH]C(=C1[OH])[N+](=O)[O-])[N+](=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

This compound group is defined by the SMILES string 'CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[CH3]C([CH3])([CH3])C1=[CH1]C(=[CH1]C(=C1[OD1])[N+](=O)[O-])[N+](=O)[O-] plus [CH3]C([CH3])([CH3])C1=[CH1]C(=[CH1]C(=C1OC(=O)C)[N+](=O)[O-])[N+](=O)[O-]". The setting "Remove any explicit hydrogens before searching" was deselected from each substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

This compound group is defined by the SMILES string 'CCCCCCCC[Sn]CCCCCCCC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

ECHA chemical group parent

ECHA chemical group parent

This compound group was populated using a list of chemicals that are reportable under the MA Toxics Use Reduction Act (TURA). See https://www.mass.gov/guides/massdep-toxics-use-reduction-program#-listed-chemicals- for more information.

This compound group has not yet been assigned a structural definition.

This compound group is defined by the SMILES string '[CH]1=[CH][CH]=C([CH]=[CH]1)[Sn](C2=[CH][CH]=[CH][CH]=[CH]2)'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

This compound group is defined by the SMARTS string 'C(=[SD1])([ND1])[SD1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

Populated from Swedish EPA

http://webapps.kemi.se/flodesanalyser/

This compound group is populated from Apple's Regulated Substances Specification

This compound group has not yet been assigned a structural definition.

This compound group has not yet been assigned a structural definition.

This group has not been assigned a structural definition yet.

This compound group is defined by the SMILES string 'C(CN)N'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

This compound group has not yet been assigned a structural definition.