Molecule

ID:108207

General Information
Structure
MolImage
Molecular Formula
C₆H₆Al₂O₁₂
Molecular Mass
324.067716
Exact Mass
323.94900289
Charge
0
InChI
InChI=1S/3C2H2O4.2Al/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
InChIKey
ZCLVNIZJEKLGFA-UHFFFAOYSA-H
Canonic Smiles
[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[AlH3+3].[AlH3+3]
Isomeric Smiles
[AlH3+3].[AlH3+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
1.3639908
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-5.101814
LogD (pH = 7.4)
-6.8848467
Log P
-0.26375157
Molar Refractivity
36.1128
Polarizability
5.6277657
Polar Surface Area
80.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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