Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII D5JYC4GU2R
EPA CompTox DTXSID30187616

Structure

InChI Key RWBSBQAUAJSGHY-UHFFFAOYSA-N
Smiles Cl.SC=1C=CC=C2C=CC=NC12
InChI
InChI=1/C9H7NS.ClH/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H7NS
Molecular Weight 197.01
AlogP 2.95
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 12.89
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 34006-16-1
NORMAN SUSDAT
FDA SRS D5JYC4GU2R
PubChem 96028