Molecule

ID:65101

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₂O₂
Molecular Mass
212.1927064
Exact Mass
212.064886
Charge
0
InChI
InChI=1S/C11H10F2O2/c12-11(13)6-9(7-11)15-10(14)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
MHWHRWBARKVNBB-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)OC1CC(C1)(F)F
Isomeric Smiles
C1(CC(C1)OC(=O)c1ccccc1)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1062138
LogD (pH = 7.4)
3.1062138
Log P
3.1062138
Molar Refractivity
49.3561
Polarizability
19.066298
Polar Surface Area
26.3
Rotatable Bonds
3
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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