Molecule

ID:15296

General Information
Structure
MolImage
Molecular Formula
C₅HF₃O₃
Molecular Mass
166.0548496
Exact Mass
165.98777855
Charge
0
InChI
InChI=1S/C5HF3O3/c6-5(7,8)2-1-3(9)11-4(2)10/h1H
InChIKey
YBZPZJWPSHBGOR-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C(=C1)C(F)(F)F
Isomeric Smiles
C1=C(C(=O)OC1=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.319902
LogD (pH = 7.4)
1.319902
Log P
1.319902
Molar Refractivity
26.6912
Polarizability
9.827663
Polar Surface Area
43.37
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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