Molecule

ID:110233

General Information
Structure
MolImage
Molecular Formula
C₃₆H₇₀MgO₄
Molecular Mass
591.2436
Exact Mass
590.51245242
Charge
0
InChI
InChI=1S/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
InChIKey
HQKMJHAJHXVSDF-UHFFFAOYSA-L
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]
Isomeric Smiles
[Mg+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
4.73
LogD (pH = 5.5)
6.49
Log P
7.15
Rotatable Bonds
32
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
40.13
Polarizability
38.18
Molar Refractivity
97.12
LOG S
-7.67
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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