Molecule

ID:136134

General Information
Structure
Molecular Formula
C₁₈H₃₄O₂
Molecular Mass
283.45401484
Exact Mass
283.25923517
Charge
0
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+/i18+1
InChIKey
UWHZIFQPPBDJPM-SMHONUQDSA-N
Canonic Smiles
CCCCCC/C=C/CCCCCCCCC[13C](=O)O
Isomeric Smiles
CCCCCC/C=C/CCCCCCCCC[13C](=O)O
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.127993
LogD (pH = 7.4)
4.368858
Log P
6.783798
Molar Refractivity
87.4022
Polarizability
34.16541
Polar Surface Area
37.3
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
References
Bioactivity
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