Pubchem ID | 57497356 |
---|---|
CAS | 9010-66-6 |
IUPAC name | [3,5-difluoro-4-(pyrrolidine-1-carbonyl)phenyl]boronic acid |
Synonyms | - |
Categories | Anticaking agent |
SMILES | B(C1=CC(=C(C(=C1)F)C(=O)N2CCCC2)F)(O)O |
InCheykey | InChI=1S/C11H12BF2NO3/c13-8-5-7(12(17)18)6-9(14)10(8)11(16)15-3-1-2-4-15/h5-6,17-18H,1-4H2 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
255.028 | 2 | 5 | 2 | 60.8 |
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 |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |