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

Structure

InChI Key NUYZVDBIVNOTSC-UHFFFAOYSA-N
Smiles OC=1C=CC2=CNN=C2C1
InChI
InChI=1/C7H6N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h1-4,10H,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6N2O
Molecular Weight 134.05
AlogP 1.27
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 48.91
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 23244-88-4
NORMAN SUSDAT
PubChem 135483987