Molecule

ID:93045

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉F₃O₂
Molecular Mass
230.1831696
Exact Mass
230.05546419
Charge
0
InChI
InChI=1S/C11H9F3O2/c1-2-8-3-5-9(6-4-8)7-16-10(15)11(12,13)14/h2-6H,1,7H2
InChIKey
XIUWQGVPNPHEOI-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccc(cc1)COC(=O)C(F)(F)F
Isomeric Smiles
O(Cc1ccc(cc1)C=C)C(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5160522
LogD (pH = 7.4)
3.5160522
Log P
3.5160522
Molar Refractivity
52.7219
Polarizability
19.460703
Polar Surface Area
26.3
Rotatable Bonds
5
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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