Molecule

ID:65839

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁F₂NO₃
Molecular Mass
291.2495464
Exact Mass
291.07069966
Charge
0
InChI
InChI=1S/C15H11F2NO3/c16-12-6-7-13(14(17)11(12)8-19)18-15(20)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,20)
InChIKey
HXSDOJSDJQFUFX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(F)ccc(c1F)NC(=O)OCc1ccccc1
Isomeric Smiles
c1(c(c(ccc1F)NC(=O)OCc1ccccc1)F)C=O
Calculated Properties
JChem
Acid pKa
11.973699
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5526266
LogD (pH = 7.4)
3.5526156
Log P
3.5526266
Molar Refractivity
74.174
Polarizability
26.832209
Polar Surface Area
55.4
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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