Molecule

ID:110946

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₃KO₃
Molecular Mass
336.55112
Exact Mass
336.2066766
Charge
0
InChI
InChI=1S/C18H34O3.K/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;+1/p-1
InChIKey
VAKMIIPDYZXBEV-UHFFFAOYSA-M
Canonic Smiles
CCCCCCC(C/C=C/CCCCCCCC(=O)[O-])O.[K+]
Isomeric Smiles
[K+].CCCCCCC(O)C/C=C/CCCCCCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.9881673
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.7691464
LogD (pH = 7.4)
3.01549
Log P
5.39708
Molar Refractivity
99.9088
Polarizability
34.66054
Polar Surface Area
60.36
Rotatable Bonds
15
Lipinski's Rule of Five
false
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
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References
Bioactivity
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