Molecule ID: mol3996

SMILES: O=C(Cc1cnccn1)c1cccnc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization