Molecule

ID:99196

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClFNO₂S
Molecular Mass
223.6523832
Exact Mass
222.98700537
Charge
0
InChI
InChI=1S/C7H7ClFNO2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKey
GQXCKIZUZLAIPV-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Cl)c(c(c1)S(=O)(=O)N)C
Isomeric Smiles
Clc1cc(cc(c1C)S(=O)(=O)N)F
Calculated Properties
JChem
Acid pKa
8.909864
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8392949
LogD (pH = 7.4)
1.827751
Log P
1.8394446
Molar Refractivity
48.2783
Polarizability
19.114069
Polar Surface Area
60.16
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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