Molecule ID: mol21678

SMILES: CCN(CC)CCCn1c2c(c3ccccc31)CCn1c-2nc2ccc(O)cc2c1=O

InChI: InChI=1S/C25H28N4O2/c1-3-27(4-2)13-7-14-28-22-9-6-5-8-18(22)19-12-15-29-24(23(19)28)26-21-11-10-17(30)16-20(21)25(29)31/h5-6,8-11,16,30H,3-4,7,12-15H2,1-2H3

Experimental Macro pKa Values

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