Molecule ID: mol18989

SMILES: CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)CO2

InChI: InChI=1S/C18H23N5O3/c1-3-12-16(17(19)22-18(20)21-12)11-5-6-14-13(9-11)23(7-4-8-25-2)15(24)10-26-14/h5-6,9H,3-4,7-8,10H2,1-2H3,(H4,19,20,21,22)

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