Pubchem ID | 135305093 |
---|---|
CAS | 58943-39-8 |
IUPAC name | 9-(2-fluoro-5-methoxy-4-nitrophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid |
Synonyms | - |
Categories | Enzyme |
SMILES | COC1=C(C=C(C(=C1)N2CCC3(CC2)CCN(CC3)C(=O)O)F)[N+](=O)[O-] |
InCheykey | InChI=1S/C17H22FN3O5/c1-26-15-11-13(12(18)10-14(15)21(24)25)19-6-2-17(3-7-19)4-8-20(9-5-17)16(22)23/h10-11H,2-9H2,1H3,(H,22,23) |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
367.377 | 1 | 7 | 2 | 98.8 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Slightly Soluble | Binder | Low | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Mutagen | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |