Molecule

ID:68446

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₂NO₂S
Molecular Mass
212.05382
Exact Mass
210.9261547
Charge
0
InChI
InChI=1S/C5H3Cl2NO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H
InChIKey
QXZKKHONVQGXAK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)S(=O)(=O)Cl
Isomeric Smiles
c1(ccc(cn1)S(=O)(=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5260983
LogD (pH = 7.4)
1.5260983
Log P
1.5260983
Molar Refractivity
43.9614
Polarizability
17.61013
Polar Surface Area
47.03
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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