Molecule ID: mol20780

SMILES: NC(=S)N/N=C/c1ccco1

InChI: InChI=1S/C6H7N3OS/c7-6(11)9-8-4-5-2-1-3-10-5/h1-4H,(H3,7,9,11)/b8-4+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization