Molecule

ID:22486

General Information
Structure
MolImage
Molecular Formula
C₇H₇FO₃S
Molecular Mass
190.1920832
Exact Mass
190.0099933
Charge
0
InChI
InChI=1S/C7H7FO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKey
OVEMQCGVMRIIHW-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1F)S(=O)(=O)C
Isomeric Smiles
c1(c(cc(cc1)S(=O)(=O)C)F)O
Calculated Properties
JChem
Acid pKa
6.589252
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6190231
LogD (pH = 7.4)
-0.19519822
Log P
0.65269095
Molar Refractivity
42.2589
Polarizability
16.723951
Polar Surface Area
54.37
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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