Molecule

ID:7590

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂F₃O₂S
Molecular Mass
279.0637296
Exact Mass
277.91829036
Charge
0
InChI
InChI=1S/C7H3Cl2F3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H
InChIKey
ZEYKLMDPUOVUCR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1S(=O)(=O)Cl)C(F)(F)F
Isomeric Smiles
c1c(ccc(c1S(=O)(=O)Cl)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.401442
LogD (pH = 7.4)
3.401442
Log P
3.401442
Molar Refractivity
51.0307
Polarizability
19.887392
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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