Molecule

ID:66735

General Information
Structure
Molecular Formula
C₅H₄Cl₂N₂O₂S
Molecular Mass
227.06846
Exact Mass
225.93705374
Charge
0
InChI
InChI=1S/C5H4Cl2N2O2S/c1-12(10,11)5-8-3(6)2-4(7)9-5/h2H,1H3
InChIKey
DROUVIKCNOHKBA-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nc(c1)Cl)S(=O)(=O)C
Isomeric Smiles
c1(nc(cc(n1)Cl)Cl)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
19.041153
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2172737
LogD (pH = 7.4)
1.2172737
Log P
1.2172737
Molar Refractivity
48.4041
Polarizability
18.692293
Polar Surface Area
59.92
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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