Molecule

ID:110341

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈O₂
Molecular Mass
240.38162
Exact Mass
240.20893014
Charge
0
InChI
InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4H,2-3,5-14H2,1H3
InChIKey
PBOSTUDLECTMNL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCOC(=O)C=C
Isomeric Smiles
CCCCCCCCCCCCOC(=O)C=C
Calculated Properties
JChem
LogD (pH = 7.4)
5.79
LogD (pH = 5.5)
5.79
Log P
5.79
Rotatable Bonds
13
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-6.78
Polar Surface Area
26.30
Polarizability
31.37
Molar Refractivity
72.74
LOG S
-5.85
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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