Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID10972562

Structure

InChI Key GZENQWSEJOBOAF-UHFFFAOYSA-N
Smiles Cl.[O-][N+]=1C=CC=CC1N
InChI
InChI=1/C5H6N2O.ClH/c6-5-3-1-2-4-7(5)8;/h1-4H,6H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N2O
Molecular Weight 146.02
AlogP 0.32
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 52.96
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 57097-28-6
NORMAN SUSDAT
PubChem 23422248