Molecule

ID:96522

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₀Cl₂F₆O₂
Molecular Mass
479.1993192
Exact Mass
477.99620424
Charge
0
InChI
InChI=1S/C21H10Cl2F6O2/c22-15-9-13(21(27,28)29)10-16(23)19(15)18-8-6-14(31-18)5-7-17(30)11-1-3-12(4-2-11)20(24,25)26/h1-10H
InChIKey
MIGYZEARHCIGAL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)C(F)(F)F)/C=C/c1ccc(o1)c1c(Cl)cc(cc1Cl)C(F)(F)F
Isomeric Smiles
o1c(ccc1/C=C/C(=O)c1ccc(cc1)C(F)(F)F)c1c(cc(cc1Cl)C(F)(F)F)Cl
Calculated Properties
JChem
Acid pKa
14.958861
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.4815845
LogD (pH = 7.4)
7.4815845
Log P
7.4815845
Molar Refractivity
105.8386
Polarizability
39.273975
Polar Surface Area
30.21
Rotatable Bonds
6
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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