Molecule

ID:98749

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉F₃O₂
Molecular Mass
230.1831696
Exact Mass
230.05546419
Charge
0
InChI
InChI=1S/C11H9F3O2/c12-11(13,14)8-6-9(16-10(8)15)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKey
VMFJOFAAYDXZBX-UHFFFAOYSA-N
Canonic Smiles
FC(C1CC(OC1=O)c1ccccc1)(F)F
Isomeric Smiles
O1C(=O)C(CC1c1ccccc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
16.716816
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.841205
LogD (pH = 7.4)
2.841205
Log P
2.841205
Molar Refractivity
50.0979
Polarizability
18.96207
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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