Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40885191

Structure

InChI Key XSNXNMMWBCZUSS-UHFFFAOYSA-N
Smiles O1CC1CCCCCCCCCCCCCCC
InChI
InChI=1/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18-17/h17H,2-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H34O
Molecular Weight 254.26
AlogP 5.87
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 14.0
Polar Surface Area 12.53
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 22092-38-2
NORMAN SUSDAT
PubChem 89596