Molecule ID: mol26512

SMILES: COc1nc2cc([N+](=O)[O-])ccc2n1C

InChI: InChI=1S/C9H9N3O3/c1-11-8-4-3-6(12(13)14)5-7(8)10-9(11)15-2/h3-5H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization