Molecule ID: mol31665

SMILES: CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1

InChI: InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3

Experimental Macro pKa Values

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