Molecule

ID:26893

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)12-10(8-2-4-9(16)5-3-8)7-21-13(12)17-11(18)6-15/h2-5,7H,6H2,1H3,(H,17,18)
InChIKey
ILLBQLIOJHFMCD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)CCl
Isomeric Smiles
c1(c(scc1c1ccc(cc1)Cl)NC(=O)CCl)C(=O)OC
Calculated Properties
JChem
Acid pKa
9.9134655
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.599469
LogD (pH = 7.4)
4.598222
Log P
4.599485
Molar Refractivity
83.9062
Polarizability
33.0114
Polar Surface Area
55.4
Rotatable Bonds
5
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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