| Pubchem ID | 135328027 |
|---|---|
| CAS | 8008-51-3 |
| IUPAC name | 1-bromo-6-chloro-2-fluoro-5-phenylmethoxynaphthalene |
| Synonyms | - |
| Categories | Color |
| SMILES | C1=CC=C(C=C1)COC2=C(C=CC3=C2C=CC(=C3Br)F)Cl |
| InCheykey | InChI=1S/C17H11BrClFO/c18-16-12-6-8-14(19)17(13(12)7-9-15(16)20)21-10-11-4-2-1-3-5-11/h1-9H,10H2 |
| 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 |
|---|---|---|---|---|
| 365.626 | 0 | 2 | 3 | 9.2 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Very Low Solubility | Binder | Very High | Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |