Molecule ID: mol17394

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

InChI: InChI=1S/C26H34N6O3/c1-5-29-24(33)32-23-14-21-20(18-8-10-27-11-9-18)7-6-19(22(21)16-30-23)15-31-25(34)35-13-12-28-17-26(2,3)4/h6-11,14,16,28H,5,12-13,15,17H2,1-4H3,(H,31,34)(H2,29,30,32,33)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization