Molecule

ID:66134

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₂O₂
Molecular Mass
200.1820064
Exact Mass
200.064886
Charge
0
InChI
InChI=1S/C10H10F2O2/c1-2-9(13)14-8-5-3-7(4-6-8)10(11)12/h3-6,10H,2H2,1H3
InChIKey
OBEJMWROBFNQIA-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)Oc1ccc(cc1)C(F)F
Isomeric Smiles
C(=O)(CC)Oc1ccc(cc1)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6701307
LogD (pH = 7.4)
2.6701307
Log P
2.6701307
Molar Refractivity
46.9013
Polarizability
17.946955
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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