Molecule

ID:95240

General Information
Structure
MolImage
Molecular Formula
C₄H₄F₃NO
Molecular Mass
139.0758696
Exact Mass
139.02449841
Charge
0
InChI
InChI=1S/C4H4F3NO/c5-4(6,7)3(9)1-2-8/h1-2H,8H2
InChIKey
DHJDPIHFALRNER-UHFFFAOYSA-N
Canonic Smiles
N/C=C/C(=O)C(F)(F)F
Isomeric Smiles
O=C(/C=C/N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.76730806
LogD (pH = 7.4)
0.76730806
Log P
0.76730806
Molar Refractivity
25.4879
Polarizability
8.817989
Polar Surface Area
43.09
Rotatable Bonds
2
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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