Molecule

ID:95067

General Information
Structure
Molecular Formula
C₁₀H₁₀F₂O₂
Molecular Mass
200.1820064
Exact Mass
200.064886
Charge
0
InChI
InChI=1S/C10H10F2O2/c1-3-9(13)6-4-7(11)10(14-2)8(12)5-6/h4-5H,3H2,1-2H3
InChIKey
KTBXQCVNEFDUCP-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1cc(F)c(c(c1)F)OC
Isomeric Smiles
Fc1cc(cc(c1OC)F)C(=O)CC
Calculated Properties
JChem
Acid pKa
16.429092
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3591619
LogD (pH = 7.4)
2.3591619
Log P
2.3591619
Molar Refractivity
47.9837
Polarizability
17.883518
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
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Molecule Details
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References
Bioactivity
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