Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7QAF6LPY33
EPA CompTox DTXSID20344599

Structure

InChI Key BCPVKLRBQLRWDQ-UHFFFAOYSA-N
Smiles Clc1nsc2ccccc12
InChI
InChI=1S/C7H4ClNS/c8-7-5-3-1-2-4-6(5)10-9-7/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 7716-66-7
NORMAN SUSDAT
FDA SRS 7QAF6LPY33