Molecule

ID:81263

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉Cl₃N₂O₃S
Molecular Mass
355.62476
Exact Mass
353.9399462
Charge
0
InChI
InChI=1S/C11H9Cl3N2O3S/c1-6-10(11(14)16(2)15-6)20(17,18)19-9-4-7(12)3-8(13)5-9/h3-5H,1-2H3
InChIKey
LLPSDOKXLSUXAA-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cc(c1)Cl)OS(=O)(=O)c1c(C)nn(c1Cl)C
Isomeric Smiles
S(=O)(=O)(c1c(n(C)nc1C)Cl)Oc1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2764337
LogD (pH = 7.4)
3.2764463
Log P
3.2764466
Molar Refractivity
88.8508
Polarizability
31.012653
Polar Surface Area
61.19
Rotatable Bonds
3
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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