Molecule ID: mol7769

SMILES: C[S+]([O-])c1ccnc2ccccc12

InChI: InChI=1S/C10H9NOS/c1-13(12)10-6-7-11-9-5-3-2-4-8(9)10/h2-7H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.88 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization