Molecule ID: mol3035

SMILES: c1ccc(Nc2nc(NC3CCCCC3)nc3ccccc23)cc1

InChI: InChI=1S/C20H22N4/c1-3-9-15(10-4-1)21-19-17-13-7-8-14-18(17)23-20(24-19)22-16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H2,21,22,23,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.00 Novartis 1 » 0
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Charge States and Microspecies Visualization