Molecule ID: mol25517

SMILES: COc1nn(-c2ccccc2)c(O)[n+]1C

InChI: InChI=1S/C10H11N3O2/c1-12-9(15-2)11-13(10(12)14)8-6-4-3-5-7-8/h3-7H,1-2H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.10 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization