Molecule

ID:51445

General Information
Structure
MolImage
Molecular Formula
C₅HCl₂F₃N₂
Molecular Mass
216.9760496
Exact Mass
215.94688806
Charge
0
InChI
InChI=1S/C5HCl2F3N2/c6-2-1-3(7)12-4(11-2)5(8,9)10/h1H
InChIKey
QFWVAJQVYBRTCL-UHFFFAOYSA-N
Canonic Smiles
FC(c1nc(Cl)cc(n1)Cl)(F)F
Isomeric Smiles
c1c(nc(nc1Cl)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3346076
LogD (pH = 7.4)
3.3346076
Log P
3.3346076
Molar Refractivity
40.0891
Polarizability
14.145351
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
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Molecule Details
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References
Bioactivity
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