Molecule

ID:70829

General Information
Structure
MolImage
Molecular Formula
C₅HCl₂F₃N₂
Molecular Mass
216.9760496
Exact Mass
215.94688806
Charge
0
InChI
InChI=1S/C5HCl2F3N2/c6-2-1-11-4(7)12-3(2)5(8,9)10/h1H
InChIKey
TXXQDEGSBJJCSM-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)C(F)(F)F)Cl
Isomeric Smiles
c1(nc(c(cn1)Cl)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8260293
LogD (pH = 7.4)
2.8260293
Log P
2.8260293
Molar Refractivity
38.6274
Polarizability
14.16738
Polar Surface Area
25.78
Rotatable Bonds
1
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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