Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YY9GNO5VMI

Structure

InChI Key NDMWRWICFFKKDR-UHFFFAOYSA-N
Smiles [O-][N+]1=CC=C(N)C=C1
InChI
InChI=1/C5H6N2O/c6-5-1-3-7(8)4-2-5/h1-4H,6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N2O
Molecular Weight 110.05
AlogP -0.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 52.96
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 3535-75-9
NORMAN SUSDAT
FDA SRS YY9GNO5VMI