Molecule

ID:93277

General Information
Structure
MolImage
Molecular Formula
C₃HF₃O₂
Molecular Mass
126.0340496
Exact Mass
125.99286393
Charge
0
InChI
InChI=1S/C3HF3O2/c4-3(5,6)2(8)1-7/h1H
InChIKey
CNQOORHYEKAWRC-UHFFFAOYSA-N
Canonic Smiles
O=CC(=O)C(F)(F)F
Isomeric Smiles
FC(F)(F)C(=O)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3282791
LogD (pH = 7.4)
1.3282791
Log P
1.3282791
Molar Refractivity
18.0613
Polarizability
6.514172
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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