Molecule ID: mol1655

SMILES: CSc1ccc(N)c(Cl)c1

InChI: InChI=1S/C7H8ClNS/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization