Molecule

ID:63128

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁Cl₂F₃N₂O
Molecular Mass
279.0869496
Exact Mass
278.020053
Charge
0
InChI
InChI=1S/C8H9F3N2O.2ClH/c9-8(10,11)14-7-4-2-1-3-6(7)5-13-12;;/h1-4,13H,5,12H2;2*1H
InChIKey
KTFLOIQKMQVJJT-UHFFFAOYSA-N
Canonic Smiles
NNCc1ccccc1OC(F)(F)F.Cl.Cl
Isomeric Smiles
Cl.Cl.NNCc1c(cccc1)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1986537
LogD (pH = 7.4)
2.3432763
Log P
2.3454704
Molar Refractivity
52.5786
Polarizability
16.916105
Polar Surface Area
47.28
Rotatable Bonds
4
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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