Molecule ID: mol26195

SMILES: C[n+]1ccnc2c(O)cccc21

InChI: InChI=1S/C9H8N2O/c1-11-6-5-10-9-7(11)3-2-4-8(9)12/h2-6H,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization