Molecule
ID:82900
General Information
Molecular Formula
C₁₅H₉Cl₂N₅O₂S₂
Molecular Mass
426.30026
Exact Mass
424.95747191
Charge
0
InChI
InChI=1S/C15H9Cl2N5O2S2/c16-14-15(17)22(8-18-14)10-6-4-9(5-7-10)21-26(23,24)12-3-1-2-11-13(12)20-25-19-11/h1-8,21H
InChIKey
DDZDDNDXRSYOND-UHFFFAOYSA-N
Canonic Smiles
Clc1ncn(c1Cl)c1ccc(cc1)NS(=O)(=O)c1cccc2c1nsn2
Isomeric Smiles
S(=O)(=O)(c1cccc2nsnc12)Nc1ccc(cc1)n1c(c(Cl)nc1)Cl
Calculated Properties
JChem
Acid pKa
7.003732
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.9051676
LogD (pH = 7.4)
2.4471977
Log P
2.9184
Molar Refractivity
111.993
Polarizability
40.71364
Polar Surface Area
89.77
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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