Molecule

ID:88337

General Information
Structure
MolImage
Molecular Formula
C₂₆H₅₂O₂
Molecular Mass
396.68988
Exact Mass
396.3967309
Charge
0
InChI
InChI=1S/C26H52O2/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/h2-25H2,1H3,(H,27,28)
InChIKey
XMHIUKTWLZUKEX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
O=C(CCCCCCCCCCCCCCCCCCCCCCCCC)O
Calculated Properties
JChem
LogD (pH = 7.4)
8.29
LogD (pH = 5.5)
10.05
Log P
10.70
Rotatable Bonds
24
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
55.80
Molar Refractivity
123.09
LOG S
-11.60
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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