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

Structure

InChI Key TXEFUSAHPIYZHD-UHFFFAOYSA-N
Smiles COC1=Cc2nccc3c4ccccc4n(C1=O)c23
InChI
InChI=1S/C15H10N2O2/c1-19-13-8-11-14-10(6-7-16-11)9-4-2-3-5-12(9)17(14)15(13)18/h2-8H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10N2O2
Molecular Weight 250.07
AlogP 2.45
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 43.6
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 15071-56-4
NORMAN SUSDAT