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

Structure

InChI Key FUKHOQPXEPBRFC-NSCUHMNNSA-N
Smiles COc1ccc(cc1)C=Cc2ccc(N)cc2
InChI
InChI=1S/C15H15NO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11H,16H2,1H3/b3-2+

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15N1O1
Molecular Weight 225.12
AlogP 3.45
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 35.25
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 7570-37-8
NORMAN SUSDAT