Molecule

ID:78797

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₄N₂OS
Molecular Mass
396.119
Exact Mass
393.92679467
Charge
0
InChI
InChI=1S/C14H10Cl4N2OS/c15-10-7-4-8-11(12(10)16)20-22-14(17,18)13(21)19-9-5-2-1-3-6-9/h1-8,20H,(H,19,21)
InChIKey
NWSIVTOQHDPFEN-UHFFFAOYSA-N
Canonic Smiles
Clc1c(cccc1Cl)NSC(C(=O)Nc1ccccc1)(Cl)Cl
Isomeric Smiles
S(C(C(=O)Nc1ccccc1)(Cl)Cl)Nc1c(c(ccc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.299212
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.36906
LogD (pH = 7.4)
6.3690076
Log P
6.3690605
Molar Refractivity
98.5474
Polarizability
36.57154
Polar Surface Area
41.13
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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