Molecule ID: mol18374

SMILES: COc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCOCC3)cn2)c1

InChI: InChI=1S/C22H29N3O3/c1-15(2)19-12-21(25-17-5-4-6-18(11-17)27-3)23-14-20(19)22(26)24-13-16-7-9-28-10-8-16/h4-6,11-12,14-16H,7-10,13H2,1-3H3,(H,23,25)(H,24,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization