Molecule

ID:66650

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂NO₂S
Molecular Mass
274.1232
Exact Mass
272.94180477
Charge
0
InChI
InChI=1S/C10H5Cl2NO2S/c11-5-1-2-6(7(12)3-5)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15)
InChIKey
BAMRISRVXZTIMQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)c1scc(n1)C(=O)O
Isomeric Smiles
s1c(nc(c1)C(=O)O)c1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.1750855
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6060281
LogD (pH = 7.4)
0.45831612
Log P
3.9083314
Molar Refractivity
72.8618
Polarizability
24.616245
Polar Surface Area
50.19
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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