Molecule

ID:44666

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈Cl₃NO₃S
Molecular Mass
388.65292
Exact Mass
386.92904716
Charge
0
InChI
InChI=1S/C15H8Cl3NO3S/c16-10-7-11(17)15(12(18)8-10)22-23(20,21)13-5-1-3-9-4-2-6-19-14(9)13/h1-8H
InChIKey
OHQJLFLDUIDPNE-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)Cl)OS(=O)(=O)c1cccc2c1nccc2
Isomeric Smiles
S(=O)(=O)(c1c2ncccc2ccc1)Oc1c(cc(cc1Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.1597924
LogD (pH = 7.4)
5.1598597
Log P
5.1598606
Molar Refractivity
89.2761
Polarizability
37.066948
Polar Surface Area
56.26
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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