Molecule

ID:127695

General Information
Structure
MolImage
Molecular Formula
C₃₆H₇₂O₂
Molecular Mass
536.95568
Exact Mass
536.55323154
Charge
0
InChI
InChI=1S/C36H72O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h2-35H2,1H3,(H,37,38)
InChIKey
LRKATBAZQAWAGV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
14.49215
LogD (pH = 7.4)
12.733015
Log P
15.147956
Molar Refractivity
169.1036
Polarizability
67.6282
Polar Surface Area
37.3
Rotatable Bonds
34
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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