Molecule ID: mol18014

SMILES: Cc1nc2c(/C=C/Cc3ccccc3)cccn2c1N

InChI: InChI=1S/C17H17N3/c1-13-16(18)20-12-6-11-15(17(20)19-13)10-5-9-14-7-3-2-4-8-14/h2-8,10-12H,9,18H2,1H3/b10-5+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization