Molecule
ID:65363
General Information
Molecular Formula
C₅H₅F₂N
Molecular Mass
117.0967064
Exact Mass
117.03900561
Charge
0
InChI
InChI=1S/C5H5F2N/c6-5(7)1-4(2-5)3-8/h4H,1-2H2
InChIKey
RCXLAPBURAMYKG-UHFFFAOYSA-N
Canonic Smiles
N#CC1CC(C1)(F)F
Isomeric Smiles
C1C(CC1(F)F)C#N
Calculated Properties
JChem
Acid pKa
17.591581
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.5458242
LogD (pH = 7.4)
0.5458242
Log P
0.5458242
Molar Refractivity
24.219
Polarizability
8.735593
Polar Surface Area
23.79
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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