Molecule

ID:81599

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₂NO₃S
Molecular Mass
344.21304
Exact Mass
342.98366958
Charge
0
InChI
InChI=1S/C14H11Cl2NO3S/c1-20-14(19)13-10(17-12(18)7-15)6-11(21-13)8-2-4-9(16)5-3-8/h2-6H,7H2,1H3,(H,17,18)
InChIKey
SINFFSYCTOOBOI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(cc1NC(=O)CCl)c1ccc(cc1)Cl
Isomeric Smiles
s1c(c(cc1c1ccc(cc1)Cl)NC(=O)CCl)C(=O)OC
Calculated Properties
JChem
Acid pKa
11.314895
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.562634
LogD (pH = 7.4)
4.5625844
Log P
4.5626345
Molar Refractivity
84.3145
Polarizability
33.01463
Polar Surface Area
55.4
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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