Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7C4VQE5C03
EPA CompTox DTXSID4075374

Structure

InChI Key BAXOFTOLAUCFNW-UHFFFAOYSA-N
Smiles N1N=CC2=CC=CC=C12
InChI
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6N2
Molecular Weight 118.05
AlogP 1.56
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 28.68
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 271-44-3
NORMAN SUSDAT
FDA SRS 7C4VQE5C03
PubChem 9221
ChemSpider 8866.0