3-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid
Chemical Structure Depiction of
3-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid
3-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 0726-0105 |
| Compound Name: | 3-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid |
| Molecular Weight: | 341.28 |
| Molecular Formula: | C16 H11 N3 O6 |
| Smiles: | C(Nc1cccc(c1)C(O)=O)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8224 |
| logD: | -1.0591 |
| logSw: | -2.3912 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.14 |
| InChI Key: | JWJVWVYSGSKTKI-UHFFFAOYSA-N |