Molecule

ID:42283

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁Cl₂NOS
Molecular Mass
324.22494
Exact Mass
322.99384034
Charge
0
InChI
InChI=1S/C15H11Cl2NOS/c16-9-5-6-11(17)10(7-9)14-8-15(19)18-12-3-1-2-4-13(12)20-14/h1-7,14H,8H2,(H,18,19)
InChIKey
JQVCRDQHPXBUGK-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2ccccc2SC(C1)c1cc(Cl)ccc1Cl
Isomeric Smiles
C1(Sc2c(NC(=O)C1)cccc2)c1c(ccc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
13.062403
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.5622888
LogD (pH = 7.4)
4.562288
Log P
4.5622888
Molar Refractivity
85.811
Polarizability
32.70383
Polar Surface Area
29.1
Rotatable Bonds
1
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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