1-(4-chlorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(4-chlorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(4-chlorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F454-0008 |
| Compound Name: | 1-(4-chlorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 298.73 |
| Molecular Formula: | C16 H11 Cl N2 O2 |
| Smiles: | C1CC2=C(C=C(C#N)C(N2c2ccc(cc2)[Cl])=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2367 |
| logD: | 2.2367 |
| logSw: | -2.9101 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.636 |
| InChI Key: | OHBQEXCSHIHLMP-UHFFFAOYSA-N |