4-cyano-2-oxo-2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carboxylic acid
Chemical Structure Depiction of
4-cyano-2-oxo-2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carboxylic acid
4-cyano-2-oxo-2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | 8020-6265 |
| Compound Name: | 4-cyano-2-oxo-2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carboxylic acid |
| Molecular Weight: | 232.24 |
| Molecular Formula: | C12 H12 N2 O3 |
| Smiles: | C1CCC2C(C#N)=C(C(O)=O)C(NC=2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.965 |
| logD: | -2.8959 |
| logSw: | -1.5484 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.882 |
| InChI Key: | SVKTUSYVPGHCFH-UHFFFAOYSA-N |