Molecule ID: mol38193

SMILES: COCN1C(=O)CN=C(c2ccccc2)c2cc(N)ccc21

InChI: InChI=1S/C17H17N3O2/c1-22-11-20-15-8-7-13(18)9-14(15)17(19-10-16(20)21)12-5-3-2-4-6-12/h2-9H,10-11,18H2,1H3

Experimental Macro pKa Values

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