Molecule ID: mol16454

SMILES: Cc1cc(O)n(Cc2cc(C)nn2-c2ccccc2)n1

InChI: InChI=1S/C15H16N4O/c1-11-8-14(10-18-15(20)9-12(2)16-18)19(17-11)13-6-4-3-5-7-13/h3-9,20H,10H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.30 Baltruschat ChEMBL 1 » 0
8.40 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization