Molecule

ID:26472

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃Cl₂NO₂S
Molecular Mass
330.22952
Exact Mass
329.00440502
Charge
0
InChI
InChI=1S/C14H13Cl2NO2S/c1-3-19-14(18)12-11(7(2)20-13(12)17)9-5-4-8(15)6-10(9)16/h4-6H,3,17H2,1-2H3
InChIKey
NPZCPQRLAGXFLH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)sc(c1c1ccc(cc1Cl)Cl)C
Isomeric Smiles
c1(c(c(sc1N)C)c1c(cc(cc1)Cl)Cl)C(=O)OCC
Calculated Properties
JChem
Acid pKa
18.469736
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.602218
LogD (pH = 7.4)
5.602218
Log P
5.602218
Molar Refractivity
83.6001
Polarizability
32.876038
Polar Surface Area
52.32
Rotatable Bonds
3
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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