Molecule

ID:44678

General Information
Structure
MolImage
Molecular Formula
C₁₆H₉Cl₃O₃S
Molecular Mass
387.66486
Exact Mass
385.93379819
Charge
0
InChI
InChI=1S/C16H9Cl3O3S/c17-12-8-14(18)16(15(19)9-12)22-23(20,21)13-6-5-10-3-1-2-4-11(10)7-13/h1-9H
InChIKey
WPYFRQNDGSAIBZ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)Cl)OS(=O)(=O)c1ccc2c(c1)cccc2
Isomeric Smiles
S(=O)(=O)(Oc1c(cc(cc1Cl)Cl)Cl)c1cc2c(cc1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.9916825
LogD (pH = 7.4)
5.9916825
Log P
5.9916825
Molar Refractivity
91.805
Polarizability
37.9155
Polar Surface Area
43.37
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
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Molecule Details
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References
Bioactivity
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