Molecule
ID:66062
General Information
Molecular Formula
C₆H₂F₆N₂
Molecular Mass
216.0838992
Exact Mass
216.01221739
Charge
0
InChI
InChI=1S/C6H2F6N2/c7-5(8,9)3-4(6(10,11)12)14-2-1-13-3/h1-2H
InChIKey
ABHLZHRGCQAXEN-UHFFFAOYSA-N
Canonic Smiles
FC(c1nccnc1C(F)(F)F)(F)F
Isomeric Smiles
c1cnc(c(n1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0652986
LogD (pH = 7.4)
2.0652986
Log P
2.0652986
Molar Refractivity
32.9476
Polarizability
11.842618
Polar Surface Area
25.78
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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