Molecule

ID:112164

General Information
Structure
MolImage
Molecular Formula
Al₂H₆O₁₆S₄Zn
Molecular Mass
509.641116
Exact Mass
507.74608737
Charge
0
InChI
InChI=1S/2Al.4H2O4S.Zn/c;;4*1-5(2,3)4;/h;;4*(H2,1,2,3,4);/q2*+3;;;;;+2/p-8
InChIKey
LJBZENKYROGMMZ-UHFFFAOYSA-F
Canonic Smiles
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[AlH3+3].[AlH3+3].[Zn+2]
Isomeric Smiles
[AlH3+3].[AlH3+3].[Zn+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-3.034349
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-5.569452
LogD (pH = 7.4)
-5.594027
Log P
-0.841552
Molar Refractivity
11.5274
Polarizability
6.037845
Polar Surface Area
80.26
Rotatable Bonds
0
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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