Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7F0Y9D444I
EPA CompTox DTXSID20181663

Structure

InChI Key MKYRMMMSZSVIGD-UHFFFAOYSA-N
Smiles s1ccc2c1ccnc2
InChI
InChI=1S/C7H5NS/c1-3-8-5-6-2-4-9-7(1)6/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5N1S1
Molecular Weight 135.01
AlogP 2.3
Hydrogen Bond Acceptor 2.0
Polar Surface Area 12.89
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 272-14-0
NORMAN SUSDAT
FDA SRS 7F0Y9D444I
PubChem 67500
ChemSpider 60824.0