Molecule ID: mol26488

SMILES: COc1c([N+](=O)[O-])ccc2[nH]cnc12

InChI: InChI=1S/C8H7N3O3/c1-14-8-6(11(12)13)3-2-5-7(8)10-4-9-5/h2-4H,1H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization