Molecule

ID:81565

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂NO₃S
Molecular Mass
296.17024
Exact Mass
294.98366958
Charge
0
InChI
InChI=1S/C10H11Cl2NO3S/c1-3-16-10(15)6-5(2)4-17-9(6)13-8(14)7(11)12/h4,7H,3H2,1-2H3,(H,13,14)
InChIKey
JWXPKNCEIRZGRZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(scc1C)NC(=O)C(Cl)Cl
Isomeric Smiles
N(c1c(c(cs1)C)C(=O)OCC)C(=O)C(Cl)Cl
Calculated Properties
JChem
Acid pKa
9.655589
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9626
LogD (pH = 7.4)
3.9603446
Log P
3.9626288
Molar Refractivity
68.9776
Polarizability
25.8227
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
No Data Available
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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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