Molecule

ID:78798

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₃N₂OS
Molecular Mass
361.67394
Exact Mass
359.96576702
Charge
0
InChI
InChI=1S/C14H11Cl3N2OS/c15-10-5-4-8-12(9-10)19-21-14(16,17)13(20)18-11-6-2-1-3-7-11/h1-9,19H,(H,18,20)
InChIKey
NMTLHKJBRGMYPT-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)NSC(C(=O)Nc1ccccc1)(Cl)Cl
Isomeric Smiles
S(C(C(=O)Nc1ccccc1)(Cl)Cl)Nc1cc(ccc1)Cl
Calculated Properties
JChem
Acid pKa
12.145628
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.765016
LogD (pH = 7.4)
5.7650084
Log P
5.765016
Molar Refractivity
93.7426
Polarizability
34.603806
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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