7-(4-chlorophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylic acid
Chemical Structure Depiction of
7-(4-chlorophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylic acid
7-(4-chlorophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylic acid
Compound characteristics
| Compound ID: | 2374-0017 |
| Compound Name: | 7-(4-chlorophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylic acid |
| Molecular Weight: | 403.91 |
| Molecular Formula: | C25 H22 Cl N O2 |
| Smiles: | C1C=CC2C1CN1C(C3CC=CC3c3cc(cc2c13)C(O)=O)c1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7555 |
| logD: | 5.8619 |
| logSw: | -6.2373 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.638 |
| InChI Key: | CJDVXNWSHASYPB-UHFFFAOYSA-N |