Molecule

ID:111528

General Information
Structure
MolImage
Molecular Formula
C₅₅H₁₁₂O₃
Molecular Mass
821.47598
Exact Mass
820.86114744
Charge
0
InChI
InChI=1S/C55H112O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-55(57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h55H,4-54H2,1-3H3
InChIKey
AZJIEXRJDXOMAN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCOC(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCCCCOC(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
23.387022
LogD (pH = 7.4)
23.387022
Log P
23.387022
Molar Refractivity
260.2012
Polarizability
104.25582
Polar Surface Area
27.69
Rotatable Bonds
54
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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