Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5YZ7028HHH
EPA CompTox DTXSID50216477

Structure

InChI Key COCFIBRMFPWUDW-UHFFFAOYSA-N
Smiles Cc1cc(N)c2ccccc2n1
InChI
InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10N2
Molecular Weight 158.08
AlogP 1.96
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Polar Surface Area 39.64
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 6628-04-2
NORMAN SUSDAT
FDA SRS 5YZ7028HHH
PubChem 81116
ChemSpider 73183.0