Molecule

ID:104386

General Information
Structure
MolImage
Molecular Formula
C₂₈H₅₆O₂
Molecular Mass
424.74304
Exact Mass
424.42803103
Charge
0
InChI
InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
InChIKey
DZKXJUASMGQEMA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
11.28
LogD (pH = 5.5)
11.28
Log P
11.28
Rotatable Bonds
26
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
59.70
Molar Refractivity
132.53
LOG S
-11.93
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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