Molecule

ID:41868

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O₅
Molecular Mass
278.26066
Exact Mass
278.09027156
Charge
0
InChI
InChI=1S/C13H14N2O5/c1-3-19-12(17)14-9-7-5-6-8-10(9)15(11(14)16)13(18)20-4-2/h5-8H,3-4H2,1-2H3
InChIKey
IWMJHUHILXJBEO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)n1c2ccccc2n(c1=O)C(=O)OCC
Isomeric Smiles
n1(c(=O)n(c2c1cccc2)C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.3556042
LogD (pH = 7.4)
2.3556042
Log P
2.3556042
Molar Refractivity
68.3094
Polarizability
26.443731
Polar Surface Area
76.15
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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