Molecule ID: mol29038
SMILES: Nc1ncnc2c1ncn2CCCCP(=O)(O)O
InChI: InChI=1S/C9H14N5O3P/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-18(15,16)17/h5-6H,1-4H2,(H2,10,11,12)(H2,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.98 | AttenGpKa training set | 1 » 0 |
| 4.17 | AttenGpKa training set | 0 » -1 |
| 7.69 | AttenGpKa training set | -1 » -2 |