Molecule ID: mol17396

SMILES: CCNC(=O)Nc1cc2c(-c3ccncc3)ccc(CNC(=O)OCCN3CCOCC3)c2cn1

InChI: InChI=1S/C25H30N6O4/c1-2-27-24(32)30-23-15-21-20(18-5-7-26-8-6-18)4-3-19(22(21)17-28-23)16-29-25(33)35-14-11-31-9-12-34-13-10-31/h3-8,15,17H,2,9-14,16H2,1H3,(H,29,33)(H2,27,28,30,32)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization