Molecule

ID:12619

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₃
Molecular Mass
206.198
Exact Mass
206.06914219
Charge
0
InChI
InChI=1S/C10H10N2O3/c13-8(5-9(14)15)10-11-6-3-1-2-4-7(6)12-10/h1-4,8,13H,5H2,(H,11,12)(H,14,15)
InChIKey
JXNVLFRNSKOUIE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1nc2c([nH]1)cccc2)O
Isomeric Smiles
c1ccc2c(c1)nc([nH]2)C(CC(=O)O)O
Calculated Properties
JChem
Acid pKa
4.055789
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.86919075
LogD (pH = 7.4)
-2.5284705
Log P
-0.40438065
Molar Refractivity
51.6407
Polarizability
21.30349
Polar Surface Area
86.21
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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