Molecule ID: mol19356
SMILES: O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2c[nH]c(=O)[nH]c2=O)no1)NO
InChI: InChI=1S/C18H25N5O5/c24-14(22-27)9-12(8-4-7-11-5-2-1-3-6-11)17-20-15(23-28-17)13-10-19-18(26)21-16(13)25/h10-12,27H,1-9H2,(H,22,24)(H2,19,21,25,26)/t12-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | Baltruschat ChEMBL | 0 » -1 |