Molecule

ID:78796

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄Cl₄N₂OS
Molecular Mass
424.17216
Exact Mass
421.9580948
Charge
0
InChI
InChI=1S/C16H14Cl4N2OS/c1-9-4-3-5-10(2)14(9)21-15(23)16(19,20)24-22-13-7-6-11(17)8-12(13)18/h3-8,22H,1-2H3,(H,21,23)
InChIKey
UUJABNFKJRQHRQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)NSC(C(=O)Nc1c(C)cccc1C)(Cl)Cl
Isomeric Smiles
N(c1c(cccc1C)C)C(=O)C(SNc1ccc(cc1Cl)Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
11.428543
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
7.395903
LogD (pH = 7.4)
7.395864
Log P
7.3959036
Molar Refractivity
108.6298
Polarizability
40.04189
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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