Molecule ID: mol37442

SMILES: O=CNNC(=O)[C@H](Cc1ccccc1)NC=O

InChI: InChI=1S/C11H13N3O3/c15-7-12-10(11(17)14-13-8-16)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H,12,15)(H,13,16)(H,14,17)/t10-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.82 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization