Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MW5753V737

Structure

InChI Key DWIKEPVFPTUJQU-UHFFFAOYSA-N
Smiles COC1(CCCN2CC(N=C12)c3ccccc3)OC
InChI
InChI=1S/C15H20N2O2/c1-18-15(19-2)9-6-10-17-11-13(16-14(15)17)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H20N2O2
Molecular Weight 260.15
AlogP 2.22
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 34.06
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 99258-56-7
NORMAN SUSDAT
FDA SRS MW5753V737