Molecule

ID:60247

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉F₂NO₃
Molecular Mass
241.1908664
Exact Mass
241.05504959
Charge
0
InChI
InChI=1S/C11H9F2NO3/c12-7-2-8(13)4-9(3-7)14-5-6(11(16)17)1-10(14)15/h2-4,6H,1,5H2,(H,16,17)
InChIKey
RONDSKCEXBOFNY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(C(=O)C1)c1cc(F)cc(c1)F
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)c1cc(cc(c1)F)F
Calculated Properties
JChem
Acid pKa
3.493442
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0318975
LogD (pH = 7.4)
-2.4112525
Log P
0.9660811
Molar Refractivity
53.4509
Polarizability
20.139408
Polar Surface Area
57.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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