Molecule

ID:125166

General Information
Structure
MolImage
Molecular Formula
C₂₈H₅₈O
Molecular Mass
410.75952
Exact Mass
410.44876648
Charge
0
InChI
InChI=1S/C28H58O/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/h29H,2-28H2,1H3
InChIKey
CNNRPFQICPFDPO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Isomeric Smiles
OCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
11.47
LogD (pH = 5.5)
11.47
Log P
11.47
Rotatable Bonds
26
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-1.99
Polar Surface Area
20.23
Polarizability
60.12
Molar Refractivity
132.56
LOG S
-12.51
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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