Molecule

ID:111590

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₉Zn
Molecular Mass
393.65144
Exact Mass
392.00857409
Charge
0
InChI
InChI=1S/2C7H6O3.3H2O.Zn/c2*8-6-4-2-1-3-5(6)7(9)10;;;;/h2*1-4,8H,(H,9,10);3*1H2;/q;;;;;+2/p-2
InChIKey
VIVYBCKORJTEEV-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)c1ccccc1O.[O-]C(=O)c1ccccc1O.O.O.O.[Zn+2]
Isomeric Smiles
O.O.O.[Zn+2].Oc1ccccc1C(=O)[O-].Oc1ccccc1C(=O)[O-]
Calculated Properties
JChem
Acid pKa
2.7897391
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6725287
LogD (pH = 7.4)
-1.5175761
Log P
1.9772635
Molar Refractivity
46.1322
Polarizability
13.208861
Polar Surface Area
60.36
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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