4-[rel-(3aR,9bR)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoic acid
Chemical Structure Depiction of
4-[rel-(3aR,9bR)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoic acid
4-[rel-(3aR,9bR)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoic acid
Compound characteristics
| Compound ID: | J038-2511 |
| Compound Name: | 4-[rel-(3aR,9bR)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoic acid |
| Molecular Weight: | 329.78 |
| Molecular Formula: | C18 H16 Cl N O3 |
| Smiles: | C1CO[C@@H]2c3cc(ccc3NC(c3ccc(cc3)C(O)=O)[C@H]12)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0764 |
| logD: | 1.1049 |
| logSw: | -4.5097 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.604 |
| InChI Key: | VUIVNIRTYXJXCX-SCMQIHGUSA-N |