Molecule ID: mol612

SMILES: Cc1nccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O

InChI: InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3/t13-/m1/s1

Experimental Macro pKa Values

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