Molecule

ID:105233

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₂O₃
Molecular Mass
296.44488
Exact Mass
296.23514488
Charge
0
InChI
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)
InChIKey
HNICUWMFWZBIFP-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(/C=C/C=C/CCCCCCCC(=O)O)O
Isomeric Smiles
CCCCCC(O)/C=C/C=C/CCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.9881673
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.5631323
LogD (pH = 7.4)
2.809476
Log P
5.191066
Molar Refractivity
90.0343
Polarizability
34.529655
Polar Surface Area
57.53
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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