Molecule

ID:115268

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇F₂NO₃
Molecular Mass
239.1749864
Exact Mass
239.03939953
Charge
0
InChI
InChI=1S/C11H7F2NO3/c12-6-1-2-8(9(13)3-6)10-4-7(14-17-10)5-11(15)16/h1-4H,5H2,(H,15,16)
InChIKey
AKTIFKJPWGNOGG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1noc(c1)c1ccc(cc1F)F
Isomeric Smiles
c1(c2c(cc(cc2)F)F)cc(no1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.9593236
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6654274
LogD (pH = 7.4)
-0.9679258
Log P
2.2140203
Molar Refractivity
53.8821
Polarizability
20.95418
Polar Surface Area
63.33
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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