Molecule

ID:26446

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃Cl₂NO₂S
Molecular Mass
330.22952
Exact Mass
329.00440502
Charge
0
InChI
InChI=1S/C14H13Cl2NO2S/c1-7(2)19-14(18)12-9(6-20-13(12)17)8-3-4-10(15)11(16)5-8/h3-7H,17H2,1-2H3
InChIKey
OZGUZTBIKPOYQE-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)c1c(N)scc1c1ccc(c(c1)Cl)Cl)C
Isomeric Smiles
c1(c(csc1N)c1cc(c(cc1)Cl)Cl)C(=O)OC(C)C
Calculated Properties
JChem
Acid pKa
17.585348
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.3729324
LogD (pH = 7.4)
5.3729324
Log P
5.3729324
Molar Refractivity
82.9626
Polarizability
32.97092
Polar Surface Area
52.32
Rotatable Bonds
4
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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