Molecule

ID:64673

General Information
Structure
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-2-16-11(15)7-3-4-9-8(5-7)10(14)13-6-12-9/h3-6H,2H2,1H3,(H,12,13,14)
InChIKey
PLBXHLDCTMXWKA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc2c(c1)c(=O)[nH]cn2
Isomeric Smiles
c12c(=O)[nH]cnc2ccc(c1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.158192
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0848757
LogD (pH = 7.4)
1.0843594
Log P
1.0850267
Molar Refractivity
59.6733
Polarizability
21.294476
Polar Surface Area
67.76
Rotatable Bonds
3
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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