4-cyano-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
4-cyano-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
4-cyano-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 8020-6318 |
| Compound Name: | 4-cyano-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid |
| Molecular Weight: | 218.21 |
| Molecular Formula: | C11 H10 N2 O3 |
| Smiles: | C1CCC2=C(C1)C(C#N)=C(C(O)=O)C(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4691 |
| logD: | -3.3918 |
| logSw: | -1.1568 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.551 |
| InChI Key: | WIVRGMMAFTXWTN-UHFFFAOYSA-N |