Molecule
ID:74532
General Information
Molecular Formula
C₆H₅Cl₂NO₂S
Molecular Mass
226.0804
Exact Mass
224.94180477
Charge
0
InChI
InChI=1S/C6H5Cl2NO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey
MYOUHONFMXUKQJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1c(cc(cc1)Cl)Cl)N
Calculated Properties
JChem
Acid pKa
8.601375
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7870615
LogD (pH = 7.4)
1.763979
Log P
1.7873659
Molar Refractivity
47.8255
Polarizability
19.54986
Polar Surface Area
60.16
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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