Molecule ID: mol17968

SMILES: NC(N)=Nc1nccc2c(Cl)cc(-c3cccc(C(=O)O)c3)cc12

InChI: InChI=1S/C17H13ClN4O2/c18-14-8-11(9-2-1-3-10(6-9)16(23)24)7-13-12(14)4-5-21-15(13)22-17(19)20/h1-8H,(H,23,24)(H4,19,20,21,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.35 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization