Molecule

ID:54131

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂O₃
Molecular Mass
236.1991632
Exact Mass
236.05972038
Charge
0
InChI
InChI=1S/C11H9FN2O3/c1-2-16-11(15)10-13-9(14-17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3
InChIKey
BCZQNQXJPMUTQA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1onc(n1)c1ccc(cc1)F
Isomeric Smiles
c1(c2ccc(cc2)F)nc(on1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0955884
LogD (pH = 7.4)
3.0955884
Log P
2.6955886
Molar Refractivity
68.5527
Polarizability
21.769037
Polar Surface Area
65.22
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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