Molecule ID: mol17558

SMILES: Cc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12

InChI: InChI=1S/C19H22N4O/c1-12-6-4-7-13-16(20)14-8-5-9-15(18(14)22-17(12)13)19(24)21-10-11-23(2)3/h4-9H,10-11H2,1-3H3,(H2,20,22)(H,21,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization