Molecule ID: mol20479

SMILES: CC(=O)/N=c1/c(-c2c(Cl)cccc2Cl)cc2cnc(C)nc2n1C

InChI: InChI=1S/C17H14Cl2N4O/c1-9-20-8-11-7-12(15-13(18)5-4-6-14(15)19)17(22-10(2)24)23(3)16(11)21-9/h4-8H,1-3H3/b22-17-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization