Molecule ID: mol25179

SMILES: Cc1c[n+](O)ccc1NO

InChI: InChI=1S/C6H8N2O2/c1-5-4-8(10)3-2-6(5)7-9/h2-4,9-10H,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization