Molecule ID: mol17080

SMILES: Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2

InChI: InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.40 OCHEM 2 » 1
2.40 Baltruschat ChEMBL 2 » 1
2.40 Baltruschat ChEMBL 2 » 1
6.20 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization