Molecule ID: mol26275

SMILES: COC1NC=Nc2cc([N+](=O)[O-])ccc21

InChI: InChI=1S/C9H9N3O3/c1-15-9-7-3-2-6(12(13)14)4-8(7)10-5-11-9/h2-5,9H,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization