4-[rel-(3aR,4S,9bS)-6,9-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
Chemical Structure Depiction of
4-[rel-(3aR,4S,9bS)-6,9-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
4-[rel-(3aR,4S,9bS)-6,9-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
Compound characteristics
| Compound ID: | 6177-0088 |
| Compound Name: | 4-[rel-(3aR,4S,9bS)-6,9-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid |
| Molecular Weight: | 360.24 |
| Molecular Formula: | C19 H15 Cl2 N O2 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2c(ccc(c2N[C@H]1c1ccc(cc1)C(O)=O)[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.2293 |
| logD: | 2.2578 |
| logSw: | -5.4674 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.478 |
| InChI Key: | KBWDYBOXSLHMSD-IIYDPXPESA-N |