Molecule ID: mol4646

SMILES: CSc1ncnc2ccccc12

InChI: InChI=1S/C9H8N2S/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h2-6H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.97 QSARToolbox 1 » 0
3.01 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization