N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamide
N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamide
Compound characteristics
| Compound ID: | C301-4259 |
| Compound Name: | N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamide |
| Molecular Weight: | 249.65 |
| Molecular Formula: | C12 H8 Cl N O3 |
| Smiles: | CC(NC1=C(C(c2ccccc2C1=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4929 |
| logD: | 1.0072 |
| logSw: | -2.6711 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.913 |
| InChI Key: | OMXMYDUYAUOFRX-UHFFFAOYSA-N |