Molecule

ID:112277

General Information
Structure
MolImage
Molecular Formula
C₃₀H₆₀AlO₆
Molecular Mass
543.775338
Exact Mass
543.42052827
Charge
0
InChI
InChI=1S/3C10H20O2.Al/c3*1-2-3-4-5-6-7-8-9-10(11)12;/h3*2-9H2,1H3,(H,11,12);/q;;;+3/p-3
InChIKey
ISGZBAMXNZISAX-UHFFFAOYSA-K
Canonic Smiles
CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[AlH3+3]
Isomeric Smiles
[AlH3+3].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9333653
LogD (pH = 7.4)
1.1742302
Log P
3.5891707
Molar Refractivity
60.3147
Polarizability
19.546532
Polar Surface Area
40.13
Rotatable Bonds
24
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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