Molecule ID: mol35700
SMILES: Cc1ccc2[nH]c(C)c(C3(c4c(C)[nH]c5ccc(C)cc45)OC(=O)c4c([N+](=O)[O-])cccc43)c2c1
InChI: InChI=1S/C28H23N3O4/c1-14-8-10-21-18(12-14)25(16(3)29-21)28(26-17(4)30-22-11-9-15(2)13-19(22)26)20-6-5-7-23(31(33)34)24(20)27(32)35-28/h5-13,29-30H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | QSARToolbox | -1 » -2 |