Molecule

ID:117653

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂O₂
Molecular Mass
220.1997632
Exact Mass
220.06480576
Charge
0
InChI
InChI=1S/C11H9FN2O2/c1-7(15)6-10-13-11(14-16-10)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3
InChIKey
RCOLPEQBJVRYOP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Cc1onc(n1)c1ccc(cc1)F
Isomeric Smiles
n1c(noc1CC(=O)C)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
11.444989
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7608688
LogD (pH = 7.4)
2.7608302
Log P
2.7608693
Molar Refractivity
66.6375
Polarizability
21.027725
Polar Surface Area
55.99
Rotatable Bonds
3
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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