Molecule

ID:40087

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₂O₂S
Molecular Mass
327.22558
Exact Mass
325.99350598
Charge
0
InChI
InChI=1S/C15H12Cl2O2S/c1-19-15(18)12-4-2-3-5-14(12)20-9-10-6-7-11(16)8-13(10)17/h2-8H,9H2,1H3
InChIKey
QZBBYQAFZKOHLQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1SCc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(C(=O)OC)c(SCc2c(cc(cc2)Cl)Cl)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.4337244
LogD (pH = 7.4)
5.4337244
Log P
5.4337244
Molar Refractivity
85.1136
Polarizability
32.98219
Polar Surface Area
26.3
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
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Molecule Details
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References
Bioactivity
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