Molecule ID: mol5197
SMILES: CC[C@H]1C(=O)OC[C@@H]1Cc1cncn1C
InChI: InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.17 | QSARToolbox | 1 » 0 |
| 7.18 | IUPAC digitized pKa | 1 » 0 |