Molecule ID: mol20119
SMILES: CN(CCc1ccccc1)c1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O
InChI: InChI=1S/C19H23N5O4/c1-23(8-7-12-5-3-2-4-6-12)17-14-18(21-10-20-17)24(11-22-14)19-16(27)15(26)13(9-25)28-19/h2-6,10-11,13,15-16,19,25-27H,7-9H2,1H3/t13-,15-,16-,19?/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | Baltruschat ChEMBL | 1 » 0 |