Molecule ID: mol21636

SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cc2[nH]1)CC[C@@H](c1ccccc1C)O3

InChI: InChI=1S/C21H23N3O2/c1-12-7-5-6-8-14(12)18-10-9-15-16(21(25)24(3)4)11-17-19(20(15)26-18)23-13(2)22-17/h5-8,11,18H,9-10H2,1-4H3,(H,22,23)/t18-/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