Molecule

ID:18525

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂O₂
Molecular Mass
220.1997632
Exact Mass
220.06480576
Charge
0
InChI
InChI=1S/C11H9FN2O2/c1-14-10(6-9(13-14)11(15)16)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16)
InChIKey
ODPKQFCBBUCKGS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1cc(nn1C)C(=O)O
Isomeric Smiles
c1(nn(c(c1)c1ccc(cc1)F)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1639917
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.15755375
LogD (pH = 7.4)
-1.2972674
Log P
2.1544676
Molar Refractivity
67.0757
Polarizability
21.854164
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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