Molecule ID: mol18011

SMILES: Cc1nc2c(OCc3ccccc3)cccn2c1N

InChI: InChI=1S/C15H15N3O/c1-11-14(16)18-9-5-8-13(15(18)17-11)19-10-12-6-3-2-4-7-12/h2-9H,10,16H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization