Molecule

ID:78795

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅Cl₃N₂OS
Molecular Mass
389.7271
Exact Mass
387.99706715
Charge
0
InChI
InChI=1S/C16H15Cl3N2OS/c1-10-5-3-6-11(2)14(10)20-15(22)16(18,19)23-21-13-8-4-7-12(17)9-13/h3-9,21H,1-2H3,(H,20,22)
InChIKey
HGJBSUNESPFFAX-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)NSC(C(=O)Nc1c(C)cccc1C)(Cl)Cl
Isomeric Smiles
N(c1c(cccc1C)C)C(=O)C(SNc1cc(ccc1)Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
12.325239
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.7918587
LogD (pH = 7.4)
6.791854
Log P
6.7918587
Molar Refractivity
103.825
Polarizability
38.11803
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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