Molecule

ID:66908

General Information
Structure
MolImage
Molecular Formula
C₄HCl₂NO₂S
Molecular Mass
198.02724
Exact Mass
196.91050464
Charge
0
InChI
InChI=1S/C4HCl2NO2S/c5-2-1(3(8)9)10-4(6)7-2/h(H,8,9)
InChIKey
AMEPJXXVIJZMJL-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(c(s1)C(=O)O)Cl
Isomeric Smiles
s1c(nc(c1C(=O)O)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.1075497
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.20333278
LogD (pH = 7.4)
-1.3000463
Log P
2.1602972
Molar Refractivity
39.1987
Polarizability
14.824684
Polar Surface Area
50.19
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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