Molecule

ID:10828

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-7-8-4-2-3-5-9(8)11(16)13(12-7)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey
SAVCCTSOVBCYPG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1nc(C)c2c(c1=O)cccc2
Isomeric Smiles
n1(nc(c2c(c1=O)cccc2)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.328244
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6193265
LogD (pH = 7.4)
-2.8832705
Log P
0.53669345
Molar Refractivity
56.9776
Polarizability
21.087027
Polar Surface Area
69.97
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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