Molecule ID: mol18992

SMILES: CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(C)O2

InChI: InChI=1S/C20H27N5O3/c1-5-13-16(17(21)24-19(22)23-13)12-7-8-15-14(11-12)25(9-6-10-27-4)18(26)20(2,3)28-15/h7-8,11H,5-6,9-10H2,1-4H3,(H4,21,22,23,24)

Experimental Macro pKa Values

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