10-benzoyl-1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9-carboxylic acid
Chemical Structure Depiction of
10-benzoyl-1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9-carboxylic acid
10-benzoyl-1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9-carboxylic acid
Compound characteristics
| Compound ID: | 1729-0052 |
| Compound Name: | 10-benzoyl-1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9-carboxylic acid |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C22 H26 O3 |
| Smiles: | C1CCC2C(C1)C(C(C1CCCCC1=2)C(c1ccccc1)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2083 |
| logD: | 2.0712 |
| logSw: | -4.4249 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.147 |
| InChI Key: | DKWBQLNOCXTUPX-UHFFFAOYSA-N |