Molecule

ID:99834

General Information
Structure
MolImage
Molecular Formula
C₆Cl₃F₆N₃
Molecular Mass
334.4337192
Exact Mass
332.90619938
Charge
0
InChI
InChI=1S/C6Cl3F6N3/c7-4(10,11)1-16-2(5(8,12)13)18-3(17-1)6(9,14)15
InChIKey
MYPGWKSSWURUMJ-UHFFFAOYSA-N
Canonic Smiles
FC(c1nc(nc(n1)C(Cl)(F)F)C(Cl)(F)F)(Cl)F
Isomeric Smiles
n1c(nc(nc1C(Cl)(F)F)C(F)(F)Cl)C(Cl)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.2667656
LogD (pH = 7.4)
5.2667656
Log P
5.2667656
Molar Refractivity
53.9298
Polarizability
18.866522
Polar Surface Area
38.67
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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