Molecule ID: mol19705

SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1cc(I)c(O)c(C(=O)OC)c1

InChI: InChI=1S/C19H20IN3O3/c1-5-15-22-16-10(2)6-11(3)21-18(16)23(15)9-12-7-13(19(25)26-4)17(24)14(20)8-12/h6-8,24H,5,9H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization