Molecule ID: mol20382

SMILES: CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cn1C

InChI: InChI=1S/C24H32N8O4/c1-29(2)8-6-7-25-22(34)19-10-17(13-31(19)4)27-24(36)21-11-18(14-32(21)5)28-23(35)20-9-16(26-15-33)12-30(20)3/h9-15H,6-8H2,1-5H3,(H,25,34)(H,26,33)(H,27,36)(H,28,35)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization