Molecule ID: mol17395

SMILES: CCNC(=O)Nc1cc2c(-c3ccncc3)ccc(CNC(=O)OCCNC)c2cn1

InChI: InChI=1S/C22H26N6O3/c1-3-25-21(29)28-20-12-18-17(15-6-8-24-9-7-15)5-4-16(19(18)14-26-20)13-27-22(30)31-11-10-23-2/h4-9,12,14,23H,3,10-11,13H2,1-2H3,(H,27,30)(H2,25,26,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization