Molecule ID: mol17987

SMILES: c1ccc2c(c1)CCc1nc3c(ccn4ccnc34)cc1-2

InChI: InChI=1S/C18H13N3/c1-2-4-14-12(3-1)5-6-16-15(14)11-13-7-9-21-10-8-19-18(21)17(13)20-16/h1-4,7-11H,5-6H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.53 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization