4-cyano-2-oxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carboxylic acid
Chemical Structure Depiction of
4-cyano-2-oxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carboxylic acid
4-cyano-2-oxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carboxylic acid
Compound characteristics
Compound ID: | 8020-6316 |
Compound Name: | 4-cyano-2-oxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carboxylic acid |
Molecular Weight: | 246.26 |
Molecular Formula: | C13 H14 N2 O3 |
Smiles: | C1CCCC2=C(CC1)C(C#N)=C(C(O)=O)C(N2)=O |
Stereo: | ACHIRAL |
logP: | 1.4609 |
logD: | -2.4 |
logSw: | -1.7877 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.882 |
InChI Key: | NPFZEWGXWXYJJA-UHFFFAOYSA-N |