Molecule

ID:68357

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂N₃O₂S
Molecular Mass
342.20046
Exact Mass
340.9792529
Charge
0
InChI
InChI=1S/C13H9Cl2N3O2S/c1-8-2-4-9(5-3-8)21(19,20)18-7-6-10-11(14)16-13(15)17-12(10)18/h2-7H,1H3
InChIKey
DTDGVNQSPAWHTH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1nc(Cl)nc2Cl
Isomeric Smiles
c1(nc2c(c(n1)Cl)ccn2S(=O)(=O)c1ccc(C)cc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6915271
LogD (pH = 7.4)
3.6915271
Log P
3.6915271
Molar Refractivity
83.1876
Polarizability
32.592587
Polar Surface Area
64.85
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
No Data Available
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Molecule Details
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References
Bioactivity
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