Molecule
ID:122462
General Information
Molecular Formula
C₆H₅Cl₂NO₂S
Molecular Mass
226.0804
Exact Mass
224.94180477
Charge
0
InChI
InChI=1S/C6H5Cl2NO2S/c7-1-2-9-5(8)4(3-10)12-6(9)11/h3H,1-2H2
InChIKey
RSYVJGLBXLEGQC-UHFFFAOYSA-N
Canonic Smiles
Clc1c(C=O)sc(=O)n1CCCl
Isomeric Smiles
n1(c(=O)sc(c1Cl)C=O)CCCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4692017
LogD (pH = 7.4)
1.4692017
Log P
1.4692017
Molar Refractivity
60.3082
Polarizability
19.089521
Polar Surface Area
37.38
Rotatable Bonds
3
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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