Molecule ID: SM10

SMILES: O=C(CNC(=O)c1ccccc1)Nc1nc2ccccc2s1

InChI: InChI=1S/C16H13N3O2S/c20-14(10-17-15(21)11-6-2-1-3-7-11)19-16-18-12-8-4-5-9-13(12)22-16/h1-9H,10H2,(H,17,21)(H,18,19,20)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.02 SAMPL6 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization