Molecule ID: mol5766

SMILES: Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C

InChI: InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.69 Datawarrior 2 » 1
2.69 OCHEM 2 » 1
2.70 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization