Molecule ID: mol18419

SMILES: CSc1n(-c2ccc(C)cc2)cc(/C=N/O)[n+]1C

InChI: InChI=1S/C13H15N3OS/c1-10-4-6-11(7-5-10)16-9-12(8-14-17)15(2)13(16)18-3/h4-9H,1-3H3/p+1/b14-8+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization