Molecule ID: mol3995

SMILES: O=C(Cc1cnccn1)c1ccccn1

InChI: InChI=1S/C11H9N3O/c15-11(10-3-1-2-4-14-10)7-9-8-12-5-6-13-9/h1-6,8H,7H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.21 QSARToolbox 2 » 1
2.98 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization