Molecule

ID:81274

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀Cl₃N₃O₂S
Molecular Mass
354.64
Exact Mass
352.95593062
Charge
0
InChI
InChI=1S/C11H10Cl3N3O2S/c1-6-10(11(14)17(2)15-6)20(18,19)16-9-4-3-7(12)5-8(9)13/h3-5,16H,1-2H3
InChIKey
ALOBXRILZKHION-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)NS(=O)(=O)c1c(C)nn(c1Cl)C
Isomeric Smiles
S(=O)(=O)(c1c(n(C)nc1C)Cl)Nc1ccc(cc1Cl)Cl
Calculated Properties
JChem
Acid pKa
7.4951878
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5433989
LogD (pH = 7.4)
2.3293078
Log P
2.547286
Molar Refractivity
90.8006
Polarizability
31.432156
Polar Surface Area
63.99
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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