Molecule ID: mol18990

SMILES: CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)CCO2

InChI: InChI=1S/C18H25N5O2/c1-3-13-16(17(19)22-18(20)21-13)12-5-6-15-14(11-12)23(8-10-25-15)7-4-9-24-2/h5-6,11H,3-4,7-10H2,1-2H3,(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