Molecule ID: mol21634

SMILES: Cc1sccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1

InChI: InChI=1S/C20H23N3O2S/c1-11-13(8-9-26-11)17-7-6-14-15(20(24)22(3)4)10-16-18(19(14)25-17)21-12(2)23(16)5/h8-10,17H,6-7H2,1-5H3/t17-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization