Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N93ZR5H5L1
EPA CompTox DTXSID60227498

Structure

InChI Key DRLGIZIAMHIQHL-UHFFFAOYSA-N
Smiles Nc1cccc2nsnc12
InChI
InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5N3S1
Molecular Weight 151.02
AlogP 1.27
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Polar Surface Area 51.8
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 767-64-6
NORMAN SUSDAT
FDA SRS N93ZR5H5L1
PubChem 69845
ChemSpider 63042.0