Molecule

ID:12269

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₂O₂S
Molecular Mass
192.1831464
Exact Mass
192.00565687
Charge
0
InChI
InChI=1S/C7H6F2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey
WMBJGJXMKCOHGG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1F)S(=O)(=O)C
Isomeric Smiles
c1(c(cc(cc1)S(=O)(=O)C)F)F
Calculated Properties
JChem
Acid pKa
19.686373
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0989583
LogD (pH = 7.4)
1.0989583
Log P
1.0989583
Molar Refractivity
40.4944
Polarizability
15.864756
Polar Surface Area
34.14
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
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Molecule Details
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References
Bioactivity
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