Molecule

ID:136214

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂N₂O₂S
Molecular Mass
239.07916
Exact Mass
237.93705374
Charge
0
InChI
InChI=1S/C6H4Cl2N2O2S/c1-13-6-9-3(7)2(5(11)12)4(8)10-6/h1H3,(H,11,12)
InChIKey
LUCAXEBLTQAMHS-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(Cl)c(c(n1)Cl)C(=O)O
Isomeric Smiles
CSc1nc(c(c(n1)Cl)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.6123533
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.7793188
LogD (pH = 7.4)
-0.67592597
Log P
2.6627653
Molar Refractivity
54.4156
Polarizability
19.960638
Polar Surface Area
63.08
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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