Molecule ID: mol17400

SMILES: CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(COC(=O)NC3CCNCC3)c2cn1

InChI: InChI=1S/C25H30N6O3/c1-3-27-24(32)31-23-13-21-20(17-6-11-28-16(2)12-17)5-4-18(22(21)14-29-23)15-34-25(33)30-19-7-9-26-10-8-19/h4-6,11-14,19,26H,3,7-10,15H2,1-2H3,(H,30,33)(H2,27,29,31,32)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization