Molecule

ID:12271

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₃S
Molecular Mass
202.2027832
Exact Mass
202.0099933
Charge
0
InChI
InChI=1S/C8H7FO3S/c1-13(11,12)8-3-2-7(9)4-6(8)5-10/h2-5H,1H3
InChIKey
RNTFMXNEDDIEGZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)ccc1S(=O)(=O)C
Isomeric Smiles
C(=O)c1c(ccc(c1)F)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
19.634565
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.66875863
LogD (pH = 7.4)
0.66875863
Log P
0.66875863
Molar Refractivity
46.862
Polarizability
18.00208
Polar Surface Area
51.21
Rotatable Bonds
2
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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