Molecule ID: mol21625

SMILES: COCc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1

InChI: InChI=1S/C23H27N3O3/c1-14-24-21-19(26(14)4)12-18(23(27)25(2)3)17-10-11-20(29-22(17)21)16-9-7-6-8-15(16)13-28-5/h6-9,12,20H,10-11,13H2,1-5H3/t20-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization