Molecule ID: mol19830

SMILES: Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3cccnc3)nc2n1

InChI: InChI=1S/C20H13Cl2N5O/c1-11-24-10-13-8-14(17-15(21)5-2-6-16(17)22)19(26-18(13)25-11)27-20(28)12-4-3-7-23-9-12/h2-10H,1H3,(H,24,25,26,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.10 Baltruschat ChEMBL 1 » 0
9.80 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization