Molecule ID: mol26084

SMILES: N=C(N)Nc1ccc(O)c2ncccc12

InChI: InChI=1S/C10H10N4O/c11-10(12)14-7-3-4-8(15)9-6(7)2-1-5-13-9/h1-5,15H,(H4,11,12,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.97 AttenGpKa training set 2 » 1
8.89 AttenGpKa training set 1 » 0
11.80 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization