| Pubchem ID | 5708313 |
|---|---|
| CAS | 9000-40-2 |
| IUPAC name | ethyl (2Z)-2-chloro-2-(phenylhydrazinylidene)acetate |
| Synonyms | - |
| Categories | Emulsifier |
| SMILES | CCOC(=O)C(=NNC1=CC=CC=C1)Cl |
| InCheykey | InChI=1S/C10H11ClN2O2/c1-2-15-10(14)9(11)13-12-8-6-4-3-5-7-8/h3-7,12H,2H2,1H3/b13-9- |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 226.66 | 1 | 4 | 5 | 50.7 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Binder | Medium | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |