Molecule

ID:97445

General Information
Structure
MolImage
Molecular Formula
C₃H₂F₃N
Molecular Mass
109.0498896
Exact Mass
109.01393373
Charge
0
InChI
InChI=1S/C3H2F3N/c4-3(5,6)1-2-7/h1H2
InChIKey
WDGHUZCUXKJUJQ-UHFFFAOYSA-N
Canonic Smiles
N#CCC(F)(F)F
Isomeric Smiles
FC(F)(F)CC#N
Calculated Properties
JChem
Acid pKa
18.532824
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8995661
LogD (pH = 7.4)
0.8995661
Log P
0.8995661
Molar Refractivity
17.1824
Polarizability
5.961761
Polar Surface Area
23.79
Rotatable Bonds
1
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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