3-imino-1-(4-nitrophenyl)butan-1-one
Chemical Structure Depiction of
3-imino-1-(4-nitrophenyl)butan-1-one
3-imino-1-(4-nitrophenyl)butan-1-one
Compound characteristics
| Compound ID: | 1731-0434 |
| Compound Name: | 3-imino-1-(4-nitrophenyl)butan-1-one |
| Molecular Weight: | 206.2 |
| Molecular Formula: | C10 H10 N2 O3 |
| Smiles: | CC(CC(c1ccc(cc1)[N+]([O-])=O)=O)=N |
| Stereo: | ACHIRAL |
| logP: | 1.352 |
| logD: | 1.3359 |
| logSw: | -2.3186 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.649 |
| InChI Key: | WUFMINDEDUWDAX-UHFFFAOYSA-N |