Molecule ID: mol18312

SMILES: CCN(CC)CCNC(=O)c1cccc2c(N)c3ccccc3nc12

InChI: InChI=1S/C20H24N4O/c1-3-24(4-2)13-12-22-20(25)16-10-7-9-15-18(21)14-8-5-6-11-17(14)23-19(15)16/h5-11H,3-4,12-13H2,1-2H3,(H2,21,23)(H,22,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization