Molecule ID: mol18375

SMILES: Cc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCOCC3)cn2)c1

InChI: InChI=1S/C22H29N3O2/c1-15(2)19-12-21(25-18-6-4-5-16(3)11-18)23-14-20(19)22(26)24-13-17-7-9-27-10-8-17/h4-6,11-12,14-15,17H,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