Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30210130

Structure

InChI Key YICMQGKNGMHCIU-UHFFFAOYSA-N
Smiles Sc1cccc2c1c(Cl)ccc2
InChI
InChI=1S/C10H7ClS/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,12H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7Cl1S1
Molecular Weight 194.0
AlogP 3.78
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 61209-66-3
NORMAN SUSDAT
PubChem 3017241
ChemSpider 2285014.0