Molecule ID: mol16894

SMILES: COc1cccc(CNCCCNc2ccnc3cc(-c4ccc(C(C)(C)C)cc4)ccc23)c1O

InChI: InChI=1S/C30H35N3O2/c1-30(2,3)24-12-9-21(10-13-24)22-11-14-25-26(15-18-33-27(25)19-22)32-17-6-16-31-20-23-7-5-8-28(35-4)29(23)34/h5,7-15,18-19,31,34H,6,16-17,20H2,1-4H3,(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