Molecule

ID:29073

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₃NS
Molecular Mass
292.61192
Exact Mass
290.9443033
Charge
0
InChI
InChI=1S/C11H8Cl3NS/c12-8-4-10(14)11(5-9(8)13)15-6-7-2-1-3-16-7/h1-5,15H,6H2
InChIKey
HMGMZUKSTRJJSA-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(cc1NCc1cccs1)Cl
Isomeric Smiles
c1c(c(cc(c1Cl)Cl)Cl)NCc1sccc1
Calculated Properties
JChem
Acid pKa
16.280052
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.895433
LogD (pH = 7.4)
4.8955116
Log P
4.8955126
Molar Refractivity
72.1687
Polarizability
27.263405
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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