2-chloro-6-[3-(trifluoromethyl)phenyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
Chemical Structure Depiction of
2-chloro-6-[3-(trifluoromethyl)phenyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
2-chloro-6-[3-(trifluoromethyl)phenyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
Compound characteristics
| Compound ID: | 8017-2858 |
| Compound Name: | 2-chloro-6-[3-(trifluoromethyl)phenyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid |
| Molecular Weight: | 421.85 |
| Molecular Formula: | C22 H19 Cl F3 N O2 |
| Smiles: | C1CC2CC1C1C2c2cc(cc(C(O)=O)c2NC1c1cccc(c1)C(F)(F)F)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8859 |
| logD: | 3.153 |
| logSw: | -5.9175 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.764 |
| InChI Key: | RLJHMEIKBAFPRX-UHFFFAOYSA-N |