4-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Chemical Structure Depiction of
4-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
4-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 2372-2863 |
| Compound Name: | 4-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid |
| Molecular Weight: | 416.35 |
| Molecular Formula: | C22 H12 N2 O7 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1081 |
| logD: | 1.7129 |
| logSw: | -4.3977 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.137 |
| InChI Key: | RSKKIIOBPZIHBA-UHFFFAOYSA-N |