Molecule ID: mol21120

SMILES: O=C(O)N1CCc2onc(O)c2CC1

InChI: InChI=1S/C8H10N2O4/c11-7-5-1-3-10(8(12)13)4-2-6(5)14-9-7/h1-4H2,(H,9,11)(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization