Molecule

ID:83232

General Information
Structure
Molecular Formula
C₁₀H₅Cl₂NO₂S
Molecular Mass
274.1232
Exact Mass
272.94180477
Charge
0
InChI
InChI=1S/C10H5Cl2NO2S/c11-6-4-2-1-3-5(6)8-7(10(14)15)9(12)13-16-8/h1-4H,(H,14,15)
InChIKey
CKJSRXLZLGBAFD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1c1snc(c1C(=O)O)Cl
Isomeric Smiles
s1c(c(c(n1)Cl)C(=O)O)c1c(cccc1)Cl
Calculated Properties
JChem
Acid pKa
3.23934
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4320635
LogD (pH = 7.4)
0.23431657
Log P
3.67264
Molar Refractivity
64.8464
Polarizability
25.341253
Polar Surface Area
50.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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