Molecule

ID:129968

General Information
Structure
MolImage
Molecular Formula
C₃₀H₆₂O
Molecular Mass
438.81268
Exact Mass
438.4800666
Charge
0
InChI
InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3
InChIKey
REZQBEBOWJAQKS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Isomeric Smiles
OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
12.36
LogD (pH = 5.5)
12.36
Log P
12.36
Rotatable Bonds
28
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-1.99
Polar Surface Area
20.23
Polarizability
64.48
Molar Refractivity
141.76
LOG S
-13.45
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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