Molecule ID: mol25525

SMILES: O=C(O)CCCC(=O)Nc1nncs1

InChI: InChI=1S/C7H9N3O3S/c11-5(2-1-3-6(12)13)9-7-10-8-4-14-7/h4H,1-3H2,(H,12,13)(H,9,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.12 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization