Molecule

ID:83234

General Information
Structure
MolImage
Molecular Formula
C₁₆H₇Cl₄NO₂S
Molecular Mass
419.10928
Exact Mass
416.89516019
Charge
0
InChI
InChI=1S/C16H7Cl4NO2S/c17-8-5-6-12(11(19)7-8)23-16(22)13-14(24-21-15(13)20)9-3-1-2-4-10(9)18/h1-7H
InChIKey
KSQNMEXPFUBVPS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OC(=O)c1c(Cl)nsc1c1ccccc1Cl
Isomeric Smiles
s1c(c(C(=O)Oc2ccc(cc2Cl)Cl)c(n1)Cl)c1ccccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.8845816
LogD (pH = 7.4)
6.884582
Log P
6.884582
Molar Refractivity
99.0027
Polarizability
38.94604
Polar Surface Area
39.19
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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