Molecule

ID:98358

General Information
Structure
MolImage
Molecular Formula
C₇H₈FNO₂S
Molecular Mass
189.2073232
Exact Mass
189.02597772
Charge
0
InChI
InChI=1S/C7H8FNO2S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKey
IJEDLYZMLJORCY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1F)S(=O)(=O)N
Isomeric Smiles
Fc1c(ccc(c1)S(=O)(=O)N)C
Calculated Properties
JChem
Acid pKa
9.672161
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.235374
LogD (pH = 7.4)
1.2333499
Log P
1.2354
Molar Refractivity
43.4735
Polarizability
17.140871
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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