Molecule

ID:9057

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₂NO₂S
Molecular Mass
193.1712064
Exact Mass
193.00090585
Charge
0
InChI
InChI=1S/C6H5F2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey
OLMFEUWXDKZGOO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)S(=O)(=O)N)F
Isomeric Smiles
c1(ccc(c(c1)S(=O)(=O)N)F)F
Calculated Properties
JChem
Acid pKa
7.9264226
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8632421
LogD (pH = 7.4)
0.76604515
Log P
0.86468047
Molar Refractivity
38.6487
Polarizability
15.249907
Polar Surface Area
60.16
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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