2-chloro-5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
2-chloro-5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | K603-0516 |
| Compound Name: | 2-chloro-5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid |
| Molecular Weight: | 319.74 |
| Molecular Formula: | C16 H14 Cl N O4 |
| Smiles: | C1CC2CC1C1C2C(N(C1=O)c1ccc(c(c1)C(O)=O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8185 |
| logD: | -1.788 |
| logSw: | -2.7585 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.133 |
| InChI Key: | KRUYPXOVYUEFOO-UHFFFAOYSA-N |