Molecule ID: mol2811

SMILES: CCNC(=O)OC1CCN(c2nncc3cc(OC)c(OC)cc23)CC1

InChI: InChI=1S/C18H24N4O4/c1-4-19-18(23)26-13-5-7-22(8-6-13)17-14-10-16(25-3)15(24-2)9-12(14)11-20-21-17/h9-11,13H,4-8H2,1-3H3,(H,19,23)

Experimental Macro pKa Values

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