Molecule

ID:51913

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄
Molecular Mass
234.2081
Exact Mass
234.06405681
Charge
0
InChI
InChI=1S/C11H10N2O4/c1-13-8-4-3-6(11(16)17-2)5-7(8)12-9(14)10(13)15/h3-5H,1-2H3,(H,12,14)
InChIKey
IBTGJUQDPCIFIA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2C
Isomeric Smiles
n1(c(=O)c(=O)[nH]c2c1ccc(C(=O)OC)c2)C
Calculated Properties
JChem
Acid pKa
10.317945
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.49914315
LogD (pH = 7.4)
0.4986513
Log P
0.49914944
Molar Refractivity
60.0764
Polarizability
22.038042
Polar Surface Area
75.71
Rotatable Bonds
2
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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