Molecule

ID:79116

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₃NO₃S
Molecular Mass
338.59424
Exact Mass
336.9133971
Charge
0
InChI
InChI=1S/C11H6Cl3NO3S/c12-7-4-8(13)6-9(5-7)19(16,17)18-10-2-1-3-15-11(10)14/h1-6H
InChIKey
XZYUFZLSRHUTJV-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)cc(c1)S(=O)(=O)Oc1cccnc1Cl
Isomeric Smiles
S(=O)(=O)(c1cc(cc(c1)Cl)Cl)Oc1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.0047092
LogD (pH = 7.4)
4.0047107
Log P
4.0047107
Molar Refractivity
74.2592
Polarizability
29.735683
Polar Surface Area
56.26
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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