Molecule ID: mol19927

SMILES: CC(C)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12

InChI: InChI=1S/C18H19N3O2/c1-12(2)10-11-19-18-13-6-3-4-7-14(13)20-15-8-5-9-16(17(15)18)21(22)23/h3-9,12H,10-11H2,1-2H3,(H,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.40 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization