Molecule

ID:94109

General Information
Structure
MolImage
Molecular Formula
C₄H₄F₂O₂
Molecular Mass
122.0701664
Exact Mass
122.01793581
Charge
0
InChI
InChI=1S/C4H4F2O2/c1-8-4(7)2-3(5)6/h2H,1H3
InChIKey
WBCCJQXKXZNHFB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C=C(F)F
Isomeric Smiles
O(C)C(=O)C=C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0913246
LogD (pH = 7.4)
1.0913246
Log P
1.0913246
Molar Refractivity
33.1901
Polarizability
8.453997
Polar Surface Area
26.3
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
No Data Available
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Molecule Details
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References
Bioactivity
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