rel-(3aR,4S,9bS)-6-chloro-4-(2-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid
Chemical Structure Depiction of
rel-(3aR,4S,9bS)-6-chloro-4-(2-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid
rel-(3aR,4S,9bS)-6-chloro-4-(2-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid
Compound characteristics
| Compound ID: | 8017-4174 |
| Compound Name: | rel-(3aR,4S,9bS)-6-chloro-4-(2-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid |
| Molecular Weight: | 343.78 |
| Molecular Formula: | C19 H15 Cl F N O2 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2c(ccc(c2N[C@H]1c1ccccc1F)[Cl])C(O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.0598 |
| logD: | 2.3609 |
| logSw: | -4.82 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.478 |
| InChI Key: | XORRMCWMRYNNOM-RLFDGXBXSA-N |