Molecule ID: mol17984

SMILES: CCOC(=O)C1CCc2nc3c(ccn4ccnc34)cc2C1

InChI: InChI=1S/C17H17N3O2/c1-2-22-17(21)12-3-4-14-13(10-12)9-11-5-7-20-8-6-18-16(20)15(11)19-14/h5-9,12H,2-4,10H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.08 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization