Molecule
ID:71194
General Information
Molecular Formula
C₃H₃FN₂
Molecular Mass
86.0677232
Exact Mass
86.02802633
Charge
0
InChI
InChI=1S/C3H3FN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKey
WNDHCIJGEKNYNF-UHFFFAOYSA-N
Canonic Smiles
Fc1cc[nH]n1
Isomeric Smiles
[nH]1nc(cc1)F
Calculated Properties
JChem
Acid pKa
13.713297
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.81406176
LogD (pH = 7.4)
0.8140622
Log P
0.8140624
Molar Refractivity
20.9765
Polarizability
6.927576
Polar Surface Area
28.68
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
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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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