Molecule

ID:82891

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₃
Molecular Mass
232.23528
Exact Mass
232.08479225
Charge
0
InChI
InChI=1S/C12H12N2O3/c1-3-17-12(15)11-8(2)14(16)10-7-5-4-6-9(10)13-11/h4-7H,3H2,1-2H3
InChIKey
VNYXIHXFWAWXAB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2ccccc2[n+](c1C)[O-]
Isomeric Smiles
[n+]1(c(c(nc2ccccc12)C(=O)OCC)C)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4633427
LogD (pH = 7.4)
1.4633428
Log P
1.4633428
Molar Refractivity
62.878
Polarizability
24.563206
Polar Surface Area
64.65
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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