Molecule ID: mol16264
SMILES: O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChI: InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | QSARToolbox | 3 » 2 |
| 1.50 | QSARToolbox | 3 » 2 |
| 1.79 | QSARToolbox | 2 » 1 |
| 1.86 | QSARToolbox | 2 » 1 |
| 1.86 | QSARToolbox | 2 » 1 |
| 2.00 | OCHEM | 1 » 0 |
| 2.00 | Baltruschat ChEMBL | 1 » 0 |
| 2.00 | Baltruschat ChEMBL | 1 » 0 |
| 2.08 | QSARToolbox | 1 » 0 |
| 2.41 | QSARToolbox | -1 » -2 |
| 2.56 | QSARToolbox | -1 » -2 |
| 2.60 | Baltruschat ChEMBL | -1 » -2 |
| 2.64 | QSARToolbox | -1 » -2 |
| 2.64 | QSARToolbox | -1 » -2 |
| 2.79 | QSARToolbox | -1 » -2 |
| 4.26 | QSARToolbox | -2 » -3 |
| 4.27 | QSARToolbox | -2 » -3 |
| 4.27 | QSARToolbox | -2 » -3 |
| 4.28 | Baltruschat ChEMBL | -2 » -3 |
| 4.29 | QSARToolbox | -2 » -3 |
| 4.42 | QSARToolbox | -2 » -3 |
| 8.60 | QSARToolbox | -3 » -4 |
| 8.61 | QSARToolbox | -3 » -4 |
| 8.64 | Baltruschat ChEMBL | -3 » -4 |
| 10.10 | QSARToolbox | -4 » -5 |
| 10.48 | QSARToolbox | -4 » -5 |
| 10.48 | Baltruschat ChEMBL | -4 » -5 |
| 10.55 | QSARToolbox | -4 » -5 |
| 10.58 | QSARToolbox | -4 » -5 |
| 10.58 | QSARToolbox | -4 » -5 |