Molecule ID: mol18646

SMILES: Cc1cc(COc2cc(C)nn2-c2ccccc2)n(Cc2ccccc2)n1

InChI: InChI=1S/C22H22N4O/c1-17-13-21(25(23-17)15-19-9-5-3-6-10-19)16-27-22-14-18(2)24-26(22)20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization