Molecule ID: mol19870

SMILES: COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)(C)C)c[nH]3)cc2)cc1OC

InChI: InChI=1S/C26H35N3O4/c1-26(2,3)24-16-28-25(29-24)19-7-9-21(10-8-19)33-17-20(30)15-27-13-12-18-6-11-22(31-4)23(14-18)32-5/h6-11,14,16,20,27,30H,12-13,15,17H2,1-5H3,(H,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.20 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization