Molecule
ID:51429
General Information
Molecular Formula
C₅H₃F₃N₂
Molecular Mass
148.0859296
Exact Mass
148.02483277
Charge
0
InChI
InChI=1S/C5H3F3N2/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H2,9,10)
InChIKey
NKEJHBNYXQTAKY-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(nc1N)F
Isomeric Smiles
c1(c(cc(c(n1)F)F)F)N
Calculated Properties
JChem
Acid pKa
18.112278
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3431414
LogD (pH = 7.4)
1.3431414
Log P
1.3431414
Molar Refractivity
30.5789
Polarizability
10.0622015
Polar Surface Area
38.91
Rotatable Bonds
0
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
No Data Available
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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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