Molecule

ID:54674

General Information
Structure
MolImage
Molecular Formula
C₃H₃FN₂
Molecular Mass
86.0677232
Exact Mass
86.02802633
Charge
0
InChI
InChI=1S/C3H3FN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKey
LNFZAUNJFRYZLE-UHFFFAOYSA-N
Canonic Smiles
Fc1ncc[nH]1
Isomeric Smiles
c1(ncc[nH]1)F
Calculated Properties
JChem
Acid pKa
8.842152
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.48041165
LogD (pH = 7.4)
0.46636322
Log P
0.48120087
Molar Refractivity
19.4037
Polarizability
6.9380145
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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