5,5-dimethyl-2-[(2-nitroanilino)methylidene]cyclohexane-1,3-dione
Chemical Structure Depiction of
5,5-dimethyl-2-[(2-nitroanilino)methylidene]cyclohexane-1,3-dione
5,5-dimethyl-2-[(2-nitroanilino)methylidene]cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | K699-0091 |
| Compound Name: | 5,5-dimethyl-2-[(2-nitroanilino)methylidene]cyclohexane-1,3-dione |
| Molecular Weight: | 288.3 |
| Molecular Formula: | C15 H16 N2 O4 |
| Smiles: | CC1(C)CC(C(=CNc2ccccc2[N+]([O-])=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4794 |
| logD: | 0.2739 |
| logSw: | -2.6314 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.638 |
| InChI Key: | PDXNAHGRGNPVEQ-UHFFFAOYSA-N |