Molecule

ID:95050

General Information
Structure
MolImage
Molecular Formula
C₆H₇FN₂O₂S
Molecular Mass
190.1953832
Exact Mass
190.02122669
Charge
0
InChI
InChI=1S/C6H7FN2O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKey
YKQPZGMHAXHTJQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)S(=O)(=O)N)N
Isomeric Smiles
S(=O)(=O)(c1c(ccc(c1)F)N)N
Calculated Properties
JChem
Acid pKa
9.669883
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.10698441
LogD (pH = 7.4)
-0.10900829
Log P
-0.10694743
Molar Refractivity
43.1327
Polarizability
16.572233
Polar Surface Area
86.18
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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