Molecule

ID:110840

General Information
Structure
MolImage
Molecular Formula
C₆HF₅O₃S
Molecular Mass
248.127356
Exact Mass
247.95665599
Charge
0
InChI
InChI=1S/C6HF5O3S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H,12,13,14)
InChIKey
IKMBXKGUMLSBOT-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(F)c(c(c1F)S(=O)(=O)O)F
Isomeric Smiles
OS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Calculated Properties
JChem
Acid pKa
-4.291883
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.50873655
LogD (pH = 7.4)
-0.50873655
Log P
1.8676622
Molar Refractivity
37.7625
Polarizability
14.576875
Polar Surface Area
54.37
Rotatable Bonds
1
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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