Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 488S0H4SQF

Structure

InChI Key BMIJYAZXNZEMLI-UHFFFAOYSA-N
Smiles Nc1ccccc1C(=O)OCCC2CCCCN2
InChI
InChI=1S/C14H20N2O2/c15-13-7-2-1-6-12(13)14(17)18-10-8-11-5-3-4-9-16-11/h1-2,6-7,11,16H,3-5,8-10,15H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20N2O2
Molecular Weight 248.15
AlogP 1.96
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 64.35
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 87-21-8
NORMAN SUSDAT
FDA SRS 488S0H4SQF