2-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)benzoic acid
Chemical Structure Depiction of
2-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)benzoic acid
2-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)benzoic acid
Compound characteristics
| Compound ID: | 5871-1856 |
| Compound Name: | 2-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)benzoic acid |
| Molecular Weight: | 449.42 |
| Molecular Formula: | C27 H15 N O6 |
| Smiles: | c1ccc(c(c1)C(O)=O)N1C(c2cc3c(cc2C1=O)oc1ccccc1c1ccccc1o3)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3235 |
| logD: | 0.41 |
| logSw: | -5.906 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.786 |
| InChI Key: | IBGRFXATCUVSCC-UHFFFAOYSA-N |