Molecule ID: mol21227

SMILES: N#Cc1ccc(Nc2nc(N)nc(Cc3c(Cl)ccc4[nH]ccc34)n2)cc1

InChI: InChI=1S/C19H14ClN7/c20-15-5-6-16-13(7-8-23-16)14(15)9-17-25-18(22)27-19(26-17)24-12-3-1-11(10-21)2-4-12/h1-8,23H,9H2,(H3,22,24,25,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.30 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization