Molecule

ID:44275

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₃NOS
Molecular Mass
360.68588
Exact Mass
358.97051805
Charge
0
InChI
InChI=1S/C15H12Cl3NOS/c16-8-15(20)19-12-3-5-13(6-4-12)21-9-10-1-2-11(17)7-14(10)18/h1-7H,8-9H2,(H,19,20)
InChIKey
OFWFYNNMCQUQNA-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc(cc1)SCc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(c(CSc2ccc(NC(=O)CCl)cc2)ccc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
13.480925
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.205302
LogD (pH = 7.4)
5.2053013
Log P
5.205302
Molar Refractivity
92.7045
Polarizability
35.282322
Polar Surface Area
29.1
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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