4-(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
4-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)benzoic acid
4-(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: | 5871-1855 |
| Compound Name: | 4-(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: | c1ccc2c(c1)c1ccccc1oc1cc3C(N(C(c3cc1o2)=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2395 |
| logD: | 3.8443 |
| logSw: | -5.9288 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.087 |
| InChI Key: | IPSWEDUFBMCVFA-UHFFFAOYSA-N |