Molecule ID: mol8591
SMILES: N#CCCN[C@@H](Cc1ccc(O)cc1)C(=O)O
InChI: InChI=1S/C12H14N2O3/c13-6-1-7-14-11(12(16)17)8-9-2-4-10(15)5-3-9/h2-5,11,14-15H,1,7-8H2,(H,16,17)/t11-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | IUPAC digitized pKa | 0 » -1 |
| 9.95 | IUPAC digitized pKa | -1 » -2 |
| 10.00 | IUPAC digitized pKa | -1 » -2 |