Molecule

ID:62520

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O₄
Molecular Mass
260.24538
Exact Mass
260.07970687
Charge
0
InChI
InChI=1S/C13H12N2O4/c1-19-12(17)6-10(16)8-15-13(18)11-5-3-2-4-9(11)7-14-15/h2-5,7H,6,8H2,1H3
InChIKey
LYMUJTAOPQTXLB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)Cn1ncc2c(c1=O)cccc2
Isomeric Smiles
n1(c(=O)c2c(cn1)cccc2)CC(=O)CC(=O)OC
Calculated Properties
JChem
Acid pKa
10.571332
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2926233
LogD (pH = 7.4)
1.2923372
Log P
1.0592964
Molar Refractivity
67.8231
Polarizability
25.114351
Polar Surface Area
76.04
Rotatable Bonds
5
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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