Molecule ID: mol37444

SMILES: O=C(N[C@@H](Cc1nc2ccccc2[nH]1)C(=O)O)c1ccccc1

InChI: InChI=1S/C17H15N3O3/c21-16(11-6-2-1-3-7-11)20-14(17(22)23)10-15-18-12-8-4-5-9-13(12)19-15/h1-9,14H,10H2,(H,18,19)(H,20,21)(H,22,23)/t14-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.18 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization