Molecule

ID:45049

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂F₃N
Molecular Mass
215.9879896
Exact Mass
214.95163909
Charge
0
InChI
InChI=1S/C6H2Cl2F3N/c7-3-1-2-12-5(8)4(3)6(9,10)11/h1-2H
InChIKey
NXLBDZNYRDNGIN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc(c1C(F)(F)F)Cl
Isomeric Smiles
c1(C(F)(F)F)c(nccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.061688
LogD (pH = 7.4)
3.0616884
Log P
3.0616884
Molar Refractivity
40.5457
Polarizability
14.827119
Polar Surface Area
12.89
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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