Molecule

ID:132734

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₀O₂
Molecular Mass
336.5518
Exact Mass
336.30283052
Charge
0
InChI
InChI=1S/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22(2,3)20-17-14-15-18-21(23)24/h16-17,19-20H,4-15,18H2,1-3H3,(H,23,24)/b19-16-,20-17-
InChIKey
AGKRHAILCPYNFH-DUQSFWPASA-N
Canonic Smiles
CCCCCCCCCCC/C=C\C(/C=C\CCCC(=O)O)(C)C
Isomeric Smiles
CCCCCCCCCCC/C=C\C(C)(C)/C=C\CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.9331355
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.227508
LogD (pH = 7.4)
5.4657965
Log P
7.8980803
Molar Refractivity
106.7445
Polarizability
41.311405
Polar Surface Area
37.3
Rotatable Bonds
16
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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