Molecule ID: mol3010

SMILES: O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncccn1)CC2

InChI: InChI=1S/C22H25N5O/c28-20-22(8-13-26(14-9-22)21-23-10-4-11-24-21)7-3-12-27(20)16-17-15-25-19-6-2-1-5-18(17)19/h1-2,4-6,10-11,15,25H,3,7-9,12-14,16H2

Experimental Macro pKa Values

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