Molecule ID: mol18315
SMILES: NCCNC(=O)c1cccc2c(N)c3ccccc3nc12
InChI: InChI=1S/C16H16N4O/c17-8-9-19-16(21)12-6-3-5-11-14(18)10-4-1-2-7-13(10)20-15(11)12/h1-7H,8-9,17H2,(H2,18,20)(H,19,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | OCHEM | 1 » 0 |
| 9.10 | Baltruschat ChEMBL | 1 » 0 |