Molecule

ID:30742

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂O₂
Molecular Mass
220.1997632
Exact Mass
220.06480576
Charge
0
InChI
InChI=1S/C11H9FN2O2/c1-6-9(11(15)16)14-10(13-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKey
AYKZOQRXUFLNNK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1nc(c([nH]1)C)C(=O)O
Isomeric Smiles
c1(nc([nH]c1C)c1ccc(cc1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
1.2755134
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.38469183
LogD (pH = 7.4)
-0.80644304
Log P
0.5224575
Molar Refractivity
66.3647
Polarizability
21.214132
Polar Surface Area
65.98
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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