Molecule ID: mol16902

SMILES: COc1cccc(CNCCCNc2ccnc3cc(-c4cccc5ccccc45)ccc23)c1O

InChI: InChI=1S/C30H29N3O2/c1-35-29-12-5-9-23(30(29)34)20-31-16-6-17-32-27-15-18-33-28-19-22(13-14-26(27)28)25-11-4-8-21-7-2-3-10-24(21)25/h2-5,7-15,18-19,31,34H,6,16-17,20H2,1H3,(H,32,33)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization