Molecule

ID:100911

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂O₃
Molecular Mass
236.1991632
Exact Mass
236.05972038
Charge
0
InChI
InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKey
LXANPKRCLVQAOG-UHFFFAOYSA-N
Canonic Smiles
Fc1cc2C3(CCOc2cc1)NC(=O)NC3=O
Isomeric Smiles
O1c2c(cc(cc2)F)C2(CC1)NC(=O)NC2=O
Calculated Properties
JChem
Acid pKa
5.392103
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.08361528
LogD (pH = 7.4)
-1.2417891
Log P
0.43563235
Molar Refractivity
54.9447
Polarizability
21.004667
Polar Surface Area
67.43
Rotatable Bonds
0
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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