Molecule ID: mol26519

SMILES: CSc1nc2c3c(ccc2[nH]1)CCCC3

InChI: InChI=1S/C12H14N2S/c1-15-12-13-10-7-6-8-4-2-3-5-9(8)11(10)14-12/h6-7H,2-5H2,1H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization