Molecule

ID:10244

General Information
Structure
MolImage
Molecular Formula
C₇H₈FNO₂S
Molecular Mass
189.2073232
Exact Mass
189.02597772
Charge
0
InChI
InChI=1S/C7H8FNO2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChIKey
NUBPBOIRQMDMNG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1N)S(=O)(=O)C
Isomeric Smiles
c1c(ccc(c1N)F)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
17.294645
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.12732506
LogD (pH = 7.4)
0.12733027
Log P
0.12733035
Molar Refractivity
44.9784
Polarizability
17.21605
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
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Molecule Details
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References
Bioactivity
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