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

Structure

InChI Key DMYOHQBLOZMDLP-UHFFFAOYSA-N
Smiles OC(COc1ccccc1C(=O)CCc2ccccc2)CN3CCCCC3
InChI
InChI=1S/C23H29NO3/c25-20(17-24-15-7-2-8-16-24)18-27-23-12-6-5-11-21(23)22(26)14-13-19-9-3-1-4-10-19/h1,3-6,9-12,20,25H,2,7-8,13-18H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H29N1O3
Molecular Weight 367.21
AlogP 3.73
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 49.77
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 63148-67-4
NORMAN SUSDAT