Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N5KD6I506O
EPA CompTox DTXSID60179943

Structure

InChI Key WCZVZNOTHYJIEI-UHFFFAOYSA-N
Smiles N1=NC2=CC=CC=C2C=C1
InChI
InChI=1/C8H6N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6N2
Molecular Weight 130.05
AlogP 1.63
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 253-66-7
NORMAN SUSDAT
FDA SRS N5KD6I506O
PubChem 9208