Molecule ID: mol26194

SMILES: C[n+]1cc(O)c2ncccc2c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization