Molecule

ID:42211

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₃F₃O₂
Molecular Mass
330.3005296
Exact Mass
330.08676432
Charge
0
InChI
InChI=1S/C19H13F3O2/c20-19(21,22)15-6-3-4-13(10-15)12-24-18-9-8-14-5-1-2-7-16(14)17(18)11-23/h1-11H,12H2
InChIKey
QVYBAIFKYHLJAB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(OCc2cccc(c2)C(F)(F)F)ccc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)ccc(c2C=O)OCc1cccc(c1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1198754
LogD (pH = 7.4)
5.1198754
Log P
5.1198754
Molar Refractivity
86.1417
Polarizability
32.755573
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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