| Pubchem ID | 135534490 |
|---|---|
| CAS | 9001-62-1 |
| IUPAC name | sodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diol |
| Synonyms | 1, 4-(2-pyridinylazo)- |
| Categories | Enzyme |
| SMILES | C1=CC=NC(=C1)N=NC2=C(C=C(C=C2)O)O.[Na+] |
| InCheykey | InChI=1S/C11H9N3O2.Na/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;/h1-7,15-16H;/q;+1 |
| Natural | nan |
| E No. | E1104 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 238.202 | 2 | 5 | 2 | 78.1 |
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 | Weaker / Non binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |