Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10180029

Structure

InChI Key DHLIRMWNYRKKPN-UHFFFAOYSA-N
Smiles Clc1cccc2c1cns2
InChI
InChI=1S/C7H4ClNS/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4Cl1N1S1
Molecular Weight 168.98
AlogP 2.95
Hydrogen Bond Acceptor 2.0
Polar Surface Area 12.89
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 25380-61-4
NORMAN SUSDAT
PubChem 117462
ChemSpider 104972.0