Molecule

ID:84820

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O₃
Molecular Mass
244.24598
Exact Mass
244.08479225
Charge
0
InChI
InChI=1S/C13H12N2O3/c1-10(17)18-9-13-7-11(8-16)14-15(13)12-5-3-2-4-6-12/h2-8H,9H2,1H3
InChIKey
YBCSQWIDYPOVCZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nn(c(c1)COC(=O)C)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(cc(n1)C=O)COC(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.039886
LogD (pH = 7.4)
2.0398865
Log P
2.0398865
Molar Refractivity
66.4634
Polarizability
25.598558
Polar Surface Area
61.19
Rotatable Bonds
5
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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