Molecule ID: mol19537

SMILES: Brc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1

InChI: InChI=1S/C16H23BrN4/c17-13-15(18-12-7-8-12)19-14(11-5-6-11)20-16(13)21-9-3-1-2-4-10-21/h11-12H,1-10H2,(H,18,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization