Molecule

ID:74601

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₃N₂O₃S
Molecular Mass
379.64616
Exact Mass
377.9399462
Charge
0
InChI
InChI=1S/C13H9Cl3N2O3S/c14-8-5-10(16)12(6-9(8)15)22(20,21)18-11-4-2-1-3-7(11)13(17)19/h1-6,18H,(H2,17,19)
InChIKey
TWEDEGPJOASCRM-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(cc1S(=O)(=O)Nc1ccccc1C(=O)N)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1Cl)Cl)Cl)Nc1ccccc1C(=O)N
Calculated Properties
JChem
Acid pKa
6.526616
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.0892794
LogD (pH = 7.4)
2.463387
Log P
3.1236854
Molar Refractivity
86.383
Polarizability
33.908695
Polar Surface Area
89.26
Rotatable Bonds
3
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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