Molecule

ID:22446

General Information
Structure
MolImage
Molecular Formula
C₅HCl₂F₃N₂
Molecular Mass
216.9760496
Exact Mass
215.94688806
Charge
0
InChI
InChI=1S/C5HCl2F3N2/c6-3-2(5(8,9)10)1-11-4(7)12-3/h1H
InChIKey
IDRUEHMBFUJKAK-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)Cl)C(F)(F)F
Isomeric Smiles
c1(c(nc(nc1)Cl)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.660356
LogD (pH = 7.4)
2.660356
Log P
2.660356
Molar Refractivity
40.0607
Polarizability
14.198846
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
References
Bioactivity
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