Molecule

ID:4295

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/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+
InChIKey
GKJZMAHZJGSBKD-NMMTYZSQSA-N
Canonic Smiles
CCCCC/C=C\C=C\CCCCCCCCC(=O)O
Isomeric Smiles
CCCCC/C=C\C=C\CCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
4.07
LogD (pH = 5.5)
5.82
Log P
6.42
Rotatable Bonds
14
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
5.02
Polar Surface Area
37.30
Polarizability
36.57
Molar Refractivity
88.52
LOG S
-7.42
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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