Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NS7PP85V4C
EPA CompTox DTXSID30220350

Structure

InChI Key UZCXRZZVOFZVBR-UHFFFAOYSA-N
Smiles CC1=NNC(=O)C(=C1)C
InChI
InChI=1S/C6H8N2O/c1-4-3-5(2)7-8-6(4)9/h3,5H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8N2O1
Molecular Weight 124.06
AlogP 1.31
Hydrogen Bond Acceptor 2.0
Polar Surface Area 41.79
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 7007-92-3
NORMAN SUSDAT
FDA SRS NS7PP85V4C