Molecule

ID:98050

General Information
Structure
MolImage
Molecular Formula
C₂F₆MgO₆S₂
Molecular Mass
322.4432192
Exact Mass
321.88909074
Charge
0
InChI
InChI=1S/2CHF3O3S.Mg/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
InChIKey
BZQRBEVTLZHKEA-UHFFFAOYSA-L
Canonic Smiles
FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Mg+2]
Isomeric Smiles
S(=O)(=O)(C(F)(F)F)[O-].[Mg+2].S(=O)(=O)(C(F)(F)F)[O-]
Calculated Properties
JChem
Acid pKa
-3.4301212
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.2283616
LogD (pH = 7.4)
-1.2283617
Log P
1.1480371
Molar Refractivity
15.8602
Polarizability
7.460577
Polar Surface Area
57.2
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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