Molecule ID: mol19840

SMILES: CCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1ccc(O)cc1

InChI: InChI=1S/C17H18N4O3/c1-4-24-17(23)13-9-18-16-14(10(2)20-21(16)3)15(13)19-11-5-7-12(22)8-6-11/h5-9,22H,4H2,1-3H3,(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization