Molecule

ID:86651

General Information
Structure
MolImage
Molecular Formula
C₁₁H₅Cl₃N₂O₃S₂
Molecular Mass
383.658
Exact Mass
381.88071707
Charge
0
InChI
InChI=1S/C11H5Cl3N2O3S2/c12-6-3-7(13)5-8(4-6)19-21(17,18)10-9(14)15-11-16(10)1-2-20-11/h1-5H
InChIKey
NISVWEWPAXWLCK-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cc(c1)Cl)OS(=O)(=O)c1c(Cl)nc2n1ccs2
Isomeric Smiles
S(=O)(=O)(c1c(nc2n1ccs2)Cl)Oc1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9229
LogD (pH = 7.4)
3.9229
Log P
3.9229
Molar Refractivity
93.1238
Polarizability
32.451443
Polar Surface Area
60.67
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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