Molecule ID: mol17397

SMILES: CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(COC(=O)N3CCNCC3)c2cn1

InChI: InChI=1S/C24H28N6O3/c1-3-26-23(31)29-22-13-20-19(17-6-7-27-16(2)12-17)5-4-18(21(20)14-28-22)15-33-24(32)30-10-8-25-9-11-30/h4-7,12-14,25H,3,8-11,15H2,1-2H3,(H2,26,28,29,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization