4-[5-(4-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Chemical Structure Depiction of
4-[5-(4-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
4-[5-(4-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 2372-3997 |
| Compound Name: | 4-[5-(4-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(ccc1C(O)=O)N1C(c2ccc(cc2C1=O)C(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0354 |
| logD: | 1.6402 |
| logSw: | -4.2407 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.137 |
| InChI Key: | CSQLANMKJWSNMO-UHFFFAOYSA-N |