Molecule

ID:65557

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₂N₃O₂S
Molecular Mass
328.17388
Exact Mass
326.96360284
Charge
0
InChI
InChI=1S/C12H7Cl2N3O2S/c13-10-6-9-11(14)15-7-16-12(9)17(10)20(18,19)8-4-2-1-3-5-8/h1-7H
InChIKey
BJPGOHDUNIUCSD-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc2c1cc(n2S(=O)(=O)c1ccccc1)Cl
Isomeric Smiles
n1cnc2c(c1Cl)cc(n2S(=O)(=O)c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5880427
LogD (pH = 7.4)
2.5886035
Log P
2.5886106
Molar Refractivity
77.4537
Polarizability
30.745033
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
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Molecule Details
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References
Bioactivity
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