Molecule

ID:65400

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(16)10(15)11-13-8-6-4-5-7-9(8)14(11)2/h4-7H,3H2,1-2H3
InChIKey
AMIFGCQYKGXJLU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)c1nc2c(n1C)cccc2
Isomeric Smiles
n1(c(nc2c1cccc2)C(=O)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1137116
LogD (pH = 7.4)
2.1139984
Log P
2.114002
Molar Refractivity
61.0578
Polarizability
24.601257
Polar Surface Area
61.19
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
No Data Available
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Molecule Details
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References
Bioactivity
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