Molecule ID: SM14

SMILES: Nc1ccc2c(c1)ncn2-c1ccccc1

InChI: InChI=1S/C13H11N3/c14-10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9H,14H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.58 SAMPL6 2 » 1
5.30 SAMPL6 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization