Molecule

ID:18910

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₂O₂
Molecular Mass
200.1820064
Exact Mass
200.064886
Charge
0
InChI
InChI=1S/C10H10F2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
KCMSDCHUELUJPX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(c1ccccc1)(F)F
Isomeric Smiles
C(=O)(C(c1ccccc1)(F)F)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8817046
LogD (pH = 7.4)
2.8817046
Log P
2.8817046
Molar Refractivity
47.0021
Polarizability
17.969004
Polar Surface Area
26.3
Rotatable Bonds
4
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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