Molecule

ID:57617

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂O₃
Molecular Mass
236.1991632
Exact Mass
236.05972038
Charge
0
InChI
InChI=1S/C11H9FN2O3/c12-8-1-3-9(4-2-8)17-7-14-6-5-10(13-14)11(15)16/h1-6H,7H2,(H,15,16)
InChIKey
BFCURUQFSQIRID-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OCn1ccc(n1)C(=O)O
Isomeric Smiles
n1(ccc(n1)C(=O)O)COc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.168328
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.033904325
LogD (pH = 7.4)
-1.1095457
Log P
2.3413916
Molar Refractivity
67.4237
Polarizability
21.38877
Polar Surface Area
64.35
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
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Molecule Details
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References
Bioactivity
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