6-(3-methoxyphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid
Chemical Structure Depiction of
6-(3-methoxyphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid
6-(3-methoxyphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D034-0019 |
| Compound Name: | 6-(3-methoxyphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C22 H23 N O3 |
| Smiles: | COc1cccc(c1)C1C2C3CCC(C3)C2c2cc(ccc2N1)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0636 |
| logD: | 3.1576 |
| logSw: | -4.5862 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.56 |
| InChI Key: | GAHFOJIJYCNZSE-UHFFFAOYSA-N |