Molecule ID: mol1710

SMILES: CSc1ccc(N)cc1[N+](=O)[O-]

InChI: InChI=1S/C7H8N2O2S/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,8H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.47 Datawarrior 1 » 0
2.47 OCHEM 1 » 0
2.47 Hunt 1 » 0
2.47 OCHEM 1 » 0
2.47 QSARToolbox 1 » 0
2.47 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization