Molecule
ID:66126
General Information
Molecular Formula
C₅H₂F₆N₂
Molecular Mass
204.0731992
Exact Mass
204.01221739
Charge
0
InChI
InChI=1S/C5H2F6N2/c6-4(7,8)2-3(5(9,10)11)13-1-12-2/h1H,(H,12,13)
InChIKey
OTWRLZYPCYXBFT-UHFFFAOYSA-N
Canonic Smiles
FC(c1[nH]cnc1C(F)(F)F)(F)F
Isomeric Smiles
c1nc(c([nH]1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
8.573886
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9147912
LogD (pH = 7.4)
1.8910962
Log P
1.9163243
Molar Refractivity
30.4657
Polarizability
10.584842
Polar Surface Area
28.68
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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