2-(4-fluorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
2-(4-fluorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
2-(4-fluorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8016-5016 |
| Compound Name: | 2-(4-fluorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 289.26 |
| Molecular Formula: | C15 H12 F N O4 |
| Smiles: | C1C23C=CC(C(C2C(N1c1ccc(cc1)F)=O)C(O)=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3552 |
| logD: | -0.8662 |
| logSw: | -1.9091 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.51 |
| InChI Key: | FFNNGZCWWSPFHR-UHFFFAOYSA-N |