Molecule ID: mol6666

SMILES: Cc1cn(-c2ccc([N+](=O)[O-])cc2)c(C)n1

InChI: InChI=1S/C11H11N3O2/c1-8-7-13(9(2)12-8)10-3-5-11(6-4-10)14(15)16/h3-7H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization