Pubchem ID | 135303826 |
---|---|
CAS | 98002-53-0 |
IUPAC name | ethyl 3-[6-(difluoromethyl)pyridin-3-yl]-6-oxo-1H-pyridazine-5-carboxylate |
Synonyms | - |
Categories | Enzyme |
SMILES | CCOC(=O)C1=CC(=NNC1=O)C2=CN=C(C=C2)C(F)F |
InCheykey | InChI=1S/C13H11F2N3O3/c1-2-21-13(20)8-5-10(17-18-12(8)19)7-3-4-9(11(14)15)16-6-7/h3-6,11H,2H2,1H3,(H,18,19) |
Natural | nan |
E No. | E1100 |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
295.246 | 1 | 7 | 5 | 80.6 |
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 | Low | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |