Molecule

ID:94238

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClFNO₄S
Molecular Mass
253.6353032
Exact Mass
252.96118455
Charge
0
InChI
InChI=1S/C7H5ClFNO4S/c8-4-2-5(9)3(7(11)12)1-6(4)15(10,13)14/h1-2H,(H,11,12)(H2,10,13,14)
InChIKey
FDPTZONHYRXKLK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(c(cc1F)Cl)S(=O)(=O)N
Isomeric Smiles
OC(=O)c1cc(c(cc1F)Cl)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
3.020642
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4603158
LogD (pH = 7.4)
-2.5054371
Log P
0.9836061
Molar Refractivity
50.4933
Polarizability
19.933025
Polar Surface Area
97.46
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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