Molecule
ID:65946
General Information
Molecular Formula
C₄H₃F₂NO
Molecular Mass
119.0695264
Exact Mass
119.01827016
Charge
0
InChI
InChI=1S/C4H3F2NO/c5-4(6)3(8)1-2-7/h4H,1H2
InChIKey
KNAXQRABRBXMGC-UHFFFAOYSA-N
Canonic Smiles
FC(C(=O)CC#N)F
Isomeric Smiles
C(C(=O)C(F)F)C#N
Calculated Properties
JChem
Acid pKa
7.607599
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.4677576
LogD (pH = 7.4)
0.2618711
Log P
0.4711311
Molar Refractivity
21.657
Polarizability
7.88516
Polar Surface Area
40.86
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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