Molecule

ID:3868

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₀O₂
Molecular Mass
254.4082
Exact Mass
254.2245802
Charge
0
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+
InChIKey
SECPZKHBENQXJG-BQYQJAHWSA-N
Canonic Smiles
CCCCCC/C=C/CCCCCCCC(=O)O
Isomeric Smiles
CCCCCC/C=C/CCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.51
LogD (pH = 5.5)
5.27
Log P
5.89
Rotatable Bonds
13
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.99
Polar Surface Area
37.30
Polarizability
33.41
Molar Refractivity
78.20
LOG S
-6.40
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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