Molecule
ID:38031
General Information
Molecular Formula
C₈H₁₀F₂N₄O₂
Molecular Mass
232.1874064
Exact Mass
232.07718202
Charge
0
InChI
InChI=1S/C8H10F2N4O2/c1-3-2-4(5(9)10)14-8(11-3)12-6(13-14)7(15)16/h3-5H,2H2,1H3,(H,15,16)(H,11,12,13)
InChIKey
XYHOJJYLZCLYCM-UHFFFAOYSA-N
Canonic Smiles
CC1CC(C(F)F)n2c(N1)nc(n2)C(=O)O
Isomeric Smiles
c12n(nc(n1)C(=O)O)C(CC(N2)C)C(F)F
Calculated Properties
JChem
Acid pKa
3.525995
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.1153454
LogD (pH = 7.4)
-2.5505292
Log P
0.86122924
Molar Refractivity
62.2655
Polarizability
18.02915
Polar Surface Area
80.04
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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