Molecule

ID:111896

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O₂
Molecular Mass
156.22214
Exact Mass
156.11502975
Charge
0
InChI
InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3
InChIKey
LNMQRPPRQDGUDR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOC(=O)C=C
Isomeric Smiles
CCCCCCOC(=O)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.125211
LogD (pH = 7.4)
3.125211
Log P
3.125211
Molar Refractivity
45.1361
Polarizability
17.827818
Polar Surface Area
26.3
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation