Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 127M91LHX5

Structure

InChI Key YWPSCECSGOKQRM-UHFFFAOYSA-N
Smiles CN(C)C(=O)CCCCCCCCCCCCO
InChI
InChI=1S/C15H31NO2/c1-16(2)15(18)13-11-9-7-5-3-4-6-8-10-12-14-17/h17H,3-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H31N1O2
Molecular Weight 257.24
AlogP 3.36
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 40.54
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 132787-19-0
NORMAN SUSDAT
FDA SRS 127M91LHX5