Molecule

ID:60084

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂O₂
Molecular Mass
220.1997632
Exact Mass
220.06480576
Charge
0
InChI
InChI=1S/C11H9FN2O2/c1-16-10-6-7(12)2-3-8(10)9-4-5-11(15)14-13-9/h2-6H,1H3,(H,14,15)
InChIKey
MJQVCIXWGNRDLX-UHFFFAOYSA-N
Canonic Smiles
COc1cc(F)ccc1c1ccc(=O)[nH]n1
Isomeric Smiles
n1[nH]c(=O)ccc1c1c(cc(cc1)F)OC
Calculated Properties
JChem
Acid pKa
10.336963
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3449076
LogD (pH = 7.4)
1.3444687
Log P
1.3449132
Molar Refractivity
57.383
Polarizability
20.892536
Polar Surface Area
50.69
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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