6-(3-chloro-4-hydroxy-5-methoxyphenyl)-5-nitropiperidin-2-one
Chemical Structure Depiction of
6-(3-chloro-4-hydroxy-5-methoxyphenyl)-5-nitropiperidin-2-one
6-(3-chloro-4-hydroxy-5-methoxyphenyl)-5-nitropiperidin-2-one
Compound characteristics
| Compound ID: | 8013-0209 |
| Compound Name: | 6-(3-chloro-4-hydroxy-5-methoxyphenyl)-5-nitropiperidin-2-one |
| Molecular Weight: | 300.7 |
| Molecular Formula: | C12 H13 Cl N2 O5 |
| Smiles: | COc1cc(cc(c1O)[Cl])C1C(CCC(N1)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2782 |
| logD: | 0.3492 |
| logSw: | -2.607 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.369 |
| InChI Key: | RTXKQSOCNPKWMF-UHFFFAOYSA-N |