Molecule ID: mol18244

SMILES: N=C(Nc1nsc2ccccc12)c1ccc(Cl)cc1

InChI: InChI=1S/C14H10ClN3S/c15-10-7-5-9(6-8-10)13(16)17-14-11-3-1-2-4-12(11)19-18-14/h1-8H,(H2,16,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.84 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization