Keyword(s): Natural Toxins
Molecule Category Free-form

Structure

InChI Key UQEBOJRXTNLPKZ-KHPPLWFESA-N
Smiles CCCCCCC/C=CCC#CC#CC(=O)C=C
InChI
InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11H,2-3,5-9,12H2,1H3/b11-10-

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22O
Molecular Weight 242.17
AlogP 4.06
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 17.07
Heavy Atoms 18.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 5281150
ChemSpider 4444590.0