Molecule ID: mol25628

SMILES: O=C(/C=C/c1ccccc1)O[C@H]1C[C@@H]2C[C@H]1C[C@@H]2c1cnc[nH]1

InChI: InChI=1S/C19H20N2O2/c22-19(7-6-13-4-2-1-3-5-13)23-18-10-14-8-15(18)9-16(14)17-11-20-12-21-17/h1-7,11-12,14-16,18H,8-10H2,(H,20,21)/b7-6+/t14-,15-,16-,18-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.80 AttenGpKa training set 1 » 0
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Charge States and Microspecies Visualization