Molecule ID: mol21621

SMILES: Cc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cn3c(C)c(C)nc3c2O1

InChI: InChI=1S/C22H25N3O2/c1-13-8-6-7-9-16(13)19-11-10-17-18(22(26)24(4)5)12-25-15(3)14(2)23-21(25)20(17)27-19/h6-9,12,19H,10-11H2,1-5H3/t19-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization