Molecule ID: mol34814

SMILES: CC(N/C(=C\[N+](=O)[O-])Nc1ccncc1)C(C)(C)C

InChI: InChI=1S/C13H20N4O2/c1-10(13(2,3)4)15-12(9-17(18)19)16-11-5-7-14-8-6-11/h5-10,15H,1-4H3,(H,14,16)/b12-9+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization