Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 69JT7M2HRU
EPA CompTox DTXSID90179416

Structure

InChI Key NBGMRMDAEWWFIR-UHFFFAOYSA-N
Smiles S=C1N=CC=N1
InChI
InChI=1S/C3H2N2S/c6-3-4-1-2-5-3/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H2N2S1
Molecular Weight 97.99
AlogP 0.43
Hydrogen Bond Acceptor 1.0
Polar Surface Area 24.72
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 24684-03-5
NORMAN SUSDAT
FDA SRS 69JT7M2HRU
PubChem 90581
ChemSpider 81783.0