Molecule ID: mol19485

SMILES: CCOc1cc2nccc(Oc3cnc(CC(=O)Nc4n[nH]c(CC)c4C)c(OC)c3)c2cc1OC

InChI: InChI=1S/C26H29N5O5/c1-6-18-15(3)26(31-30-18)29-25(32)13-20-22(33-4)10-16(14-28-20)36-21-8-9-27-19-12-24(35-7-2)23(34-5)11-17(19)21/h8-12,14H,6-7,13H2,1-5H3,(H2,29,30,31,32)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization