Molecule ID: mol18956

SMILES: Cn1c(/C=N/O)[n+](C)c2ccccc21

InChI: InChI=1S/C10H11N3O/c1-12-8-5-3-4-6-9(8)13(2)10(12)7-11-14/h3-7H,1-2H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.54 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization