Molecule ID: mol14452
SMILES: CC[C@H](C(=O)O)[C@H](CO)Cc1cncn1C
InChI: InChI=1S/C11H18N2O3/c1-3-10(11(15)16)8(6-14)4-9-5-12-7-13(9)2/h5,7-8,10,14H,3-4,6H2,1-2H3,(H,15,16)/t8-,10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.47 | QSARToolbox | 0 » -1 |
| 7.47 | Datawarrior | 0 » -1 |