Molecule ID: mol17835

SMILES: Cc1c(NC2=NCCN2)ccc2nccnc12

InChI: InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization