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

Structure

InChI Key OVEVYSWOILUFMF-UHFFFAOYSA-N
Smiles COc1cc(CN2CCNCC2)cc(OC)c1OC
InChI
InChI=1/C14H22N2O3/c1-17-12-8-11(9-13(18-2)14(12)19-3)10-16-6-4-15-5-7-16/h8-9,15H,4-7,10H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22N2O3
Molecular Weight 266.16
AlogP 1.12
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 42.96
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 52146-35-7
NORMAN SUSDAT