Molecule

ID:97800

General Information
Structure
MolImage
Molecular Formula
C₃H₂F₉O₁₀S₃Yb
Molecular Mass
638.2766088
Exact Mass
638.80550024
Charge
0
InChI
InChI=1S/3CHF3O3S.H2O.Yb/c3*2-1(3,4)8(5,6)7;;/h3*(H,5,6,7);1H2;/q;;;;+3/p-3
InChIKey
BUJKNFNMGRYZBV-UHFFFAOYSA-K
Canonic Smiles
FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.O.[Yb+3]
Isomeric Smiles
[O-]S(=O)(=O)C(F)(F)F.O.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[Yb+3]
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
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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