Molecule

ID:111579

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₁₀Zn
Molecular Mass
403.6032
Exact Mass
401.95653852
Charge
0
InChI
InChI=1S/2C7H6O5.Zn/c2*8-4-1-3(7(11)12)2-5(9)6(4)10;/h2*1-2,8-10H,(H,11,12);/q;;+2/p-2
InChIKey
RKSNLJBWLIWZID-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)c1cc(O)c(c(c1)O)O.[O-]C(=O)c1cc(O)c(c(c1)O)O.[Zn+2]
Isomeric Smiles
[Zn+2].Oc1cc(cc(O)c1O)C(=O)[O-].Oc1cc(cc(O)c1O)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
3.941564
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.8456376
LogD (pH = 7.4)
-2.480753
Log P
0.72013277
Molar Refractivity
50.093998
Polarizability
14.560103
Polar Surface Area
100.82
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
No Data Available
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Molecule Details
References
Bioactivity
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