Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40889295

Structure

InChI Key TZTFSSQVWNZQQA-UHFFFAOYSA-N
Smiles CN(C)C(=O)CCCCCCCC=C
InChI
InChI=1S/C12H23NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4H,1,5-11H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H23N1O1
Molecular Weight 197.18
AlogP 2.99
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 20.31
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 1356964-77-6
NORMAN SUSDAT
PubChem 17825184
ChemSpider 15979002.0