Molecule ID: mol37443

SMILES: Cc1ncc(CO)c(CN[C@@H](Cc2ccccc2)C(=O)O)c1O

InChI: InChI=1S/C17H20N2O4/c1-11-16(21)14(13(10-20)8-18-11)9-19-15(17(22)23)7-12-5-3-2-4-6-12/h2-6,8,15,19-21H,7,9-10H2,1H3,(H,22,23)/t15-/m0/s1

Experimental Macro pKa Values

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