Molecule
ID:111627
General Information
Molecular Formula
C₄H₄O₁₂Zr
Molecular Mass
335.29136
Exact Mass
333.87497957
Charge
0
InChI
InChI=1S/4CH2O3.Zr/c4*2-1(3)4;/h4*(H2,2,3,4);/q;;;;+4/p-4
InChIKey
BSZKBMAGLBURDO-UHFFFAOYSA-J
Canonic Smiles
[O-]C(=O)O.[O-]C(=O)O.[O-]C(=O)O.[O-]C(=O)O.[Zr+4]
Isomeric Smiles
[Zr+4].OC(=O)[O-].OC(=O)[O-].OC(=O)[O-].OC(=O)[O-]
Calculated Properties
JChem
Acid pKa
6.0525417
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.142811
LogD (pH = 7.4)
-1.1138874
Log P
0.25005138
Molar Refractivity
20.3353
Polarizability
3.759794
Polar Surface Area
60.36
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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