Molecule ID: mol19954

SMILES: CN[C@@H]1CCN(c2ccnc(C(C)C)n2)C1

InChI: InChI=1S/C12H20N4/c1-9(2)12-14-6-4-11(15-12)16-7-5-10(8-16)13-3/h4,6,9-10,13H,5,7-8H2,1-3H3/t10-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.50 OCHEM 2 » 1
6.50 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization