Molecule

ID:129334

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₂O₂
Molecular Mass
280.44548
Exact Mass
280.24023026
Charge
0
InChI
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)
InChIKey
JBYXPOFIGCOSSB-UHFFFAOYSA-N
Canonic Smiles
CCCCCC/C=C/C=C/CCCCCCCC(=O)O
Isomeric Smiles
CCCCCC/C=C/C=C/CCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.9881673
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.7939434
LogD (pH = 7.4)
4.040287
Log P
6.421877
Molar Refractivity
88.5188
Polarizability
33.928547
Polar Surface Area
37.3
Rotatable Bonds
14
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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