Molecule

ID:71071

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁F₃O₂
Molecular Mass
280.2418496
Exact Mass
280.07111425
Charge
0
InChI
InChI=1S/C15H11F3O2/c1-9-2-7-12(14(19)20)13(8-9)10-3-5-11(6-4-10)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKey
FFXVVIXBXBQZLL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)c1ccc(cc1)C(F)(F)F)C(=O)O
Isomeric Smiles
C(c1ccc(c2c(C(=O)O)ccc(c2)C)cc1)(F)(F)F
Calculated Properties
JChem
Acid pKa
3.8736885
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0382586
LogD (pH = 7.4)
1.442338
Log P
4.669324
Molar Refractivity
69.4653
Polarizability
26.345963
Polar Surface Area
37.3
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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