Molecule

ID:77272

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₃
Molecular Mass
232.23528
Exact Mass
232.08479225
Charge
0
InChI
InChI=1S/C12H12N2O3/c1-3-16-12(15)10-6-4-9(5-7-10)11-13-8(2)17-14-11/h4-7H,3H2,1-2H3
InChIKey
QGJFLYBPBMSNOC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)c1noc(n1)C
Isomeric Smiles
n1c(c2ccc(cc2)C(=O)OCC)nc(o1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7622325
LogD (pH = 7.4)
2.7622325
Log P
2.7622325
Molar Refractivity
73.2998
Polarizability
23.75847
Polar Surface Area
65.22
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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