Molecule ID: mol36842

SMILES: CCOC(=O)C[n+]1cc(CO)c(/C=N/Nc2ccccn2)c(O)c1C

InChI: InChI=1S/C17H20N4O4/c1-3-25-16(23)10-21-9-13(11-22)14(17(24)12(21)2)8-19-20-15-6-4-5-7-18-15/h4-9,22,24H,3,10-11H2,1-2H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.31 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization