Molecule

ID:129173

General Information
Structure
MolImage
Molecular Formula
C₃₃H₆₆O₂
Molecular Mass
494.87594
Exact Mass
494.50628135
Charge
0
InChI
InChI=1S/C33H66O2/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(34)35/h2-32H2,1H3,(H,34,35)
InChIKey
HQRWEDFDJHDPJC-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
13.158444
LogD (pH = 7.4)
11.399309
Log P
13.81425
Molar Refractivity
155.3006
Polarizability
62.089108
Polar Surface Area
37.3
Rotatable Bonds
31
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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