Molecule

ID:95041

General Information
Structure
Molecular Formula
C₇H₆ClFO₂S
Molecular Mass
208.6377432
Exact Mass
207.97610633
Charge
0
InChI
InChI=1S/C7H6ClFO2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2
InChIKey
IDJRFBRURUINQC-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)S(=O)(=O)F
Isomeric Smiles
ClCc1ccc(cc1)S(=O)(=O)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2192018
LogD (pH = 7.4)
2.2192018
Log P
2.2192018
Molar Refractivity
45.4841
Polarizability
17.997154
Polar Surface Area
34.14
Rotatable Bonds
2
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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