Molecule ID: mol5429

SMILES: N[C@@H](Cc1cccc(Cl)c1)C(=O)O

InChI: InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.17 IUPAC digitized pKa 1 » 0
8.91 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization