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

Structure

InChI Key WZSDNEJJUSYNSG-UHFFFAOYSA-N
Smiles COc1cc(cc(OC)c1OC)C(=O)N2CCCCCCC2
InChI
InChI=1S/C17H25NO4/c1-20-14-11-13(12-15(21-2)16(14)22-3)17(19)18-9-7-5-4-6-8-10-18/h11-12H,4-10H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25N1O4
Molecular Weight 307.18
AlogP 3.12
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 48.0
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 14368-24-2
NORMAN SUSDAT