Molecule

ID:127657

General Information
Structure
MolImage
Molecular Formula
C₃₁H₆₂O₂
Molecular Mass
466.82278
Exact Mass
466.47498122
Charge
0
InChI
InChI=1S/C31H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33/h2-30H2,1H3,(H,32,33)
InChIKey
ONLMUMPTRGEPCH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
12.269307
LogD (pH = 7.4)
10.510172
Log P
12.925113
Molar Refractivity
146.0986
Polarizability
58.396587
Polar Surface Area
37.3
Rotatable Bonds
29
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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