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

Structure

InChI Key FCTZHFATVFONMW-UHFFFAOYSA-N
Smiles O=C(Nc1ccccc1)c2ccncc2
InChI
InChI=1S/C12H10N2O/c15-12(10-6-8-13-9-7-10)14-11-4-2-1-3-5-11/h1-9H,(H,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H10N2O1
Molecular Weight 198.08
AlogP 2.33
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 41.99
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 3034-31-9
NORMAN SUSDAT