Molecule ID: mol20478

SMILES: CC(=O)N(C)c1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl

InChI: InChI=1S/C17H14Cl2N4O/c1-9-20-8-11-7-12(15-13(18)5-4-6-14(15)19)17(22-16(11)21-9)23(3)10(2)24/h4-8H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization