Molecule

ID:44683

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₃O₃S
Molecular Mass
363.64346
Exact Mass
361.93379819
Charge
0
InChI
InChI=1S/C14H9Cl3O3S/c15-11-8-12(16)14(13(17)9-11)20-21(18,19)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+
InChIKey
MZOFHFZEKXZVQK-VOTSOKGWSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)Cl)OS(=O)(=O)/C=C/c1ccccc1
Isomeric Smiles
S(=O)(=O)(Oc1c(cc(cc1Cl)Cl)Cl)/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.2231665
LogD (pH = 7.4)
5.2231665
Log P
5.2231665
Molar Refractivity
85.1313
Polarizability
34.034615
Polar Surface Area
43.37
Rotatable Bonds
4
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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