Molecule ID: mol14915

SMILES: C[n+]1ccn(CCC[n+]2ccc(/C=N/O)cc2)c1

InChI: InChI=1S/C13H17N4O/c1-15-9-10-17(12-15)6-2-5-16-7-3-13(4-8-16)11-14-18/h3-4,7-12H,2,5-6H2,1H3/q+1/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.05 Datawarrior 2 » 1
8.05 AttenGpKa training set 2 » 1
8.05 QSARToolbox 2 » 1
8.05 OCHEM 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization