Molecule

ID:97025

General Information
Structure
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Molecular Formula
C₄F₁₂HfO₁₂S₄
Molecular Mass
774.7664384
Exact Mass
775.75464808
Charge
0
InChI
InChI=1S/4CHF3O3S.Hf/c4*2-1(3,4)8(5,6)7;/h4*(H,5,6,7);/q;;;;+4/p-4
InChIKey
BQYMOILRPDTPPJ-UHFFFAOYSA-J
Canonic Smiles
FC(S(=O)(=O)O[Hf](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)(F)F
Isomeric Smiles
[Hf](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
8
H Donor
0
LogD (pH = 5.5)
6.8776
LogD (pH = 7.4)
6.8776
Log P
6.8776
Molar Refractivity
63.07
Polarizability
37.14928
Polar Surface Area
173.48
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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