2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
Chemical Structure Depiction of
2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | K603-0196 |
| Compound Name: | 2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid |
| Molecular Weight: | 283.28 |
| Molecular Formula: | C16 H13 N O4 |
| Smiles: | C1[C@H]2C=C[C@@H]1C1C2C(N(C1=O)c1ccccc1C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5388 |
| logD: | -3.5483 |
| logSw: | -2.09 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.832 |
| InChI Key: | HYVCRTFVNMBICJ-FGRABYKZSA-N |