Molecule ID: mol18870

SMILES: Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)n2)n1C(C)C

InChI: InChI=1S/C23H29N7O/c1-16(2)30-17(3)25-15-21(30)20-9-10-24-23(27-20)26-19-7-5-18(6-8-19)22(31)29-13-11-28(4)12-14-29/h5-10,15-16H,11-14H2,1-4H3,(H,24,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization