Molecule

ID:26401

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl₂NO₂S
Molecular Mass
316.20294
Exact Mass
314.98875496
Charge
0
InChI
InChI=1S/C13H11Cl2NO2S/c1-2-18-13(17)11-9(6-19-12(11)16)8-4-3-7(14)5-10(8)15/h3-6H,2,16H2,1H3
InChIKey
AOLLZSJHYLHEEI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)scc1c1ccc(cc1Cl)Cl
Isomeric Smiles
c1(c(csc1N)c1c(cc(cc1)Cl)Cl)C(=O)OCC
Calculated Properties
JChem
Acid pKa
17.551615
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9563575
LogD (pH = 7.4)
4.9563575
Log P
4.9563575
Molar Refractivity
78.5438
Polarizability
31.120865
Polar Surface Area
52.32
Rotatable Bonds
4
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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