3-(4-nitrophenyl)adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-(4-nitrophenyl)adamantane-1-carboxylic acid
3-(4-nitrophenyl)adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | 0KPI-0042 |
| Compound Name: | 3-(4-nitrophenyl)adamantane-1-carboxylic acid |
| Molecular Weight: | 301.34 |
| Molecular Formula: | C17 H19 N O4 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)c1ccc(cc1)[N+]([O-])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4003 |
| logD: | 2.3784 |
| logSw: | -4.5154 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.79 |
| InChI Key: | JGYFFTQRRDPOIR-UHFFFAOYSA-N |