2-chloro-6-(pentan-3-yl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
Chemical Structure Depiction of
2-chloro-6-(pentan-3-yl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
2-chloro-6-(pentan-3-yl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
Compound characteristics
| Compound ID: | 8017-2859 |
| Compound Name: | 2-chloro-6-(pentan-3-yl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid |
| Molecular Weight: | 347.88 |
| Molecular Formula: | C20 H26 Cl N O2 |
| Smiles: | CCC(CC)C1C2C3CCC(C3)C2c2cc(cc(C(O)=O)c2N1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6503 |
| logD: | 2.6313 |
| logSw: | -5.6421 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.036 |
| InChI Key: | CQASREBRZYVQSE-UHFFFAOYSA-N |