6-(3-methylphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid
Chemical Structure Depiction of
6-(3-methylphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid
6-(3-methylphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D034-0034 |
| Compound Name: | 6-(3-methylphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxylic acid |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C22 H23 N O2 |
| Smiles: | Cc1cccc(c1)C1C2C3CCC(C3)C2c2cc(ccc2N1)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5815 |
| logD: | 3.6755 |
| logSw: | -5.3518 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.016 |
| InChI Key: | PFBQDCGPGMFALE-UHFFFAOYSA-N |