Molecule

ID:114417

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-16-9-4-2-8(3-5-9)13-10(14)6-7-12-11(13)15/h2-7H,1H3,(H,12,15)
InChIKey
ALZSFPZPDWILFL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)n1c(=O)cc[nH]c1=O
Isomeric Smiles
n1(c(=O)[nH]ccc1=O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
10.2605095
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8686644
LogD (pH = 7.4)
0.8680807
Log P
0.86867225
Molar Refractivity
57.1068
Polarizability
21.675861
Polar Surface Area
58.64
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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