Molecule

ID:114960

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂O₂
Molecular Mass
220.1997632
Exact Mass
220.06480576
Charge
0
InChI
InChI=1S/C11H9FN2O2/c1-14-10(11(15)16)6-9(13-14)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,15,16)
InChIKey
LGODEEAGGPJBIR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1c1nn(c(c1)C(=O)O)C
Isomeric Smiles
c1(cc(nn1C)c1c(F)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2728298
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.056111973
LogD (pH = 7.4)
-1.2776641
Log P
2.1544676
Molar Refractivity
67.0757
Polarizability
21.866056
Polar Surface Area
55.12
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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