Molecule
ID:125165
General Information
Molecular Formula
C₂₉H₆₀O
Molecular Mass
424.7861
Exact Mass
424.46441654
Charge
0
InChI
InChI=1S/C29H60O/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/h30H,2-29H2,1H3
InChIKey
PKBSGDQYUYBUDY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Isomeric Smiles
OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
11.9195385
LogD (pH = 7.4)
11.9195385
Log P
11.9195385
Molar Refractivity
137.1599
Polarizability
54.86948
Polar Surface Area
20.23
Rotatable Bonds
27
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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