Molecule ID: mol18180
SMILES: NCCc1c[nH]c2c1C(=O)C(O)=C(C1=C(O)c3[nH]cc(CCN)c3C(=O)C1=O)C2=O
InChI: InChI=1S/C20H18N4O6/c21-3-1-7-5-23-13-9(7)17(27)19(29)11(15(13)25)12-16(26)14-10(18(28)20(12)30)8(2-4-22)6-24-14/h5-6,23-25,30H,1-4,21-22H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | Baltruschat ChEMBL | 1 » 0 |