Molecule ID: mol19636

SMILES: Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCN(c2cccc(Cl)c2)CC1

InChI: InChI=1S/C23H28ClN7O2/c1-16-15-31-19-20(26(2)23(33)27(3)21(19)32)25-22(31)30(16)9-5-8-28-10-12-29(13-11-28)18-7-4-6-17(24)14-18/h4,6-7,14-15H,5,8-13H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization