Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MPA47W5DV5
EPA CompTox DTXSID80211778

Structure

InChI Key FNSSATCDUXTALE-UHFFFAOYSA-N
Smiles Cc1c(N)c(=O)[nH]c(=O)[nH]1
InChI
InChI=1S/C5H7N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H2,1H3,(H2,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N3O2
Molecular Weight 141.05
AlogP -0.22
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Polar Surface Area 92.26
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 6270-46-8
NORMAN SUSDAT
FDA SRS MPA47W5DV5
PubChem 80453
ChemSpider 72664.0