Molecule

ID:121048

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-7-11(16)13(6-10(14)15)9-5-3-2-4-8(9)12-7/h2-5H,6H2,1H3,(H,14,15)
InChIKey
OCMDEPZGAWWZHH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1c2ccccc2nc(c1=O)C
Isomeric Smiles
n1(c(=O)c(nc2c1cccc2)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.5749717
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3499689
LogD (pH = 7.4)
-2.7811153
Log P
0.5710046
Molar Refractivity
58.1551
Polarizability
21.27508
Polar Surface Area
69.97
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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