4-{[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}benzoic acid
Chemical Structure Depiction of
4-{[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}benzoic acid
4-{[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}benzoic acid
Compound characteristics
| Compound ID: | 8004-9019 |
| Compound Name: | 4-{[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}benzoic acid |
| Molecular Weight: | 404.33 |
| Molecular Formula: | C21 H12 N2 O7 |
| Smiles: | c1cc(cc(c1)N1C(c2ccc(cc2C1=O)Oc1ccc(cc1)C(O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2581 |
| logD: | 1.7406 |
| logSw: | -4.3941 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.417 |
| InChI Key: | YSPYJKGFGGHFPD-UHFFFAOYSA-N |