Molecule

ID:37345

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁F₃O₃
Molecular Mass
296.2412496
Exact Mass
296.06602887
Charge
0
InChI
InChI=1S/C15H11F3O3/c16-15(17,18)12-5-1-3-10(7-12)9-21-13-6-2-4-11(8-13)14(19)20/h1-8H,9H2,(H,19,20)
InChIKey
XUPCVKCPGXGXEO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)OCc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1(cc(ccc1)C(=O)O)OCc1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.8373044
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4093044
LogD (pH = 7.4)
0.83062625
Log P
4.075479
Molar Refractivity
70.3637
Polarizability
25.903135
Polar Surface Area
46.53
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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