Molecule ID: mol16361

SMILES: N#CC(c1ccc(O)cc1)N1CCCC1

InChI: InChI=1S/C12H14N2O/c13-9-12(14-7-1-2-8-14)10-3-5-11(15)6-4-10/h3-6,12,15H,1-2,7-8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization