Molecule ID: mol20009

SMILES: CN(C)CCO/N=C1C(=C2/C(=O)Nc3cc(Br)ccc32)/Nc2ccccc2/1

InChI: InChI=1S/C20H19BrN4O2/c1-25(2)9-10-27-24-18-14-5-3-4-6-15(14)22-19(18)17-13-8-7-12(21)11-16(13)23-20(17)26/h3-8,11,22H,9-10H2,1-2H3,(H,23,26)/b19-17-,24-18+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization