Molecule ID: mol17842

SMILES: CN1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(-c4cc5ccccc5o4)n3)[nH]c12

InChI: InChI=1S/C24H23N5O2/c1-29-10-7-24(8-11-29)14-26-23(30)16-13-18(27-21(16)24)17-6-9-25-22(28-17)20-12-15-4-2-3-5-19(15)31-20/h2-6,9,12-13,27H,7-8,10-11,14H2,1H3,(H,26,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization