Molecule

ID:54066

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉F₂NO₃
Molecular Mass
241.1908664
Exact Mass
241.05504959
Charge
0
InChI
InChI=1S/C11H9F2NO3/c12-7-1-2-9(8(13)4-7)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5H2,(H,16,17)
InChIKey
CJFSZWJZSGREJQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)c1ccc(cc1F)F
Isomeric Smiles
c1c(cc(c(c1)N1CC(CC1=O)C(=O)O)F)F
Calculated Properties
JChem
Acid pKa
3.4998572
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0257308
LogD (pH = 7.4)
-2.409347
Log P
0.9660811
Molar Refractivity
53.4509
Polarizability
20.139688
Polar Surface Area
57.61
Rotatable Bonds
2
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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