Molecule ID: mol29578

SMILES: COC(=O)Nc1nc2cc(C)ccc2[nH]1

InChI: InChI=1S/C10H11N3O2/c1-6-3-4-7-8(5-6)12-9(11-7)13-10(14)15-2/h3-5H,1-2H3,(H2,11,12,13,14)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.01 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization