Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00885359

Structure

InChI Key FTBVOJZWVWWLFB-UHFFFAOYSA-N
Smiles OCCNC(C)CCCCCC
InChI
InChI=1/C10H23NO/c1-3-4-5-6-7-10(2)11-8-9-12/h10-12H,3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H23NO
Molecular Weight 173.18
AlogP 1.93
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 32.26
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 26535-68-2
NORMAN SUSDAT
PubChem 98354