Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L9806LPR7G

Structure

InChI Key RVXGRCNWGOHSDE-UHFFFAOYSA-N
Smiles CC1(CCN2CCCCC2)C(=O)CCc3ccccc13
InChI
InChI=1S/C18H25NO/c1-18(11-14-19-12-5-2-6-13-19)16-8-4-3-7-15(16)9-10-17(18)20/h3-4,7-8H,2,5-6,9-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H25N1O1
Molecular Weight 271.19
AlogP 3.34
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 22443-11-4
NORMAN SUSDAT
FDA SRS L9806LPR7G