Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EZL67464QF
EPA CompTox DTXSID1058216

Structure

InChI Key SBUKOHLFHYSZNG-UHFFFAOYSA-N
Smiles C(N1CC(OC(C1)C)C)CCCCCCCCCCC
InChI
InChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-17(2)20-18(3)16-19/h17-18H,4-16H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H37N1O1
Molecular Weight 283.29
AlogP 5.02
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 12.47
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 91315-15-0
NORMAN SUSDAT
FDA SRS EZL67464QF
PubChem 3014032
ChemSpider 2282572.0