| MolName | (2Z)-2-[2-(2,2-diphenylhydrazinyl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C23H19N4O3F3 |
| Smiles | O=C(CO/N=C\C(Nc1cccc(C(F)(F)F)c1)=O)NN(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H19F3N4O3/c24-23(25,26)17-8-7-9-18(14-17)28-21(31)15-27-33-16-22(32)29-30(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-15H,16H2,(H,28,31)(H,29,32) |
| InChIK | BABNADNMOZPZOB-UHFFFAOYSA-N |
| TotalMolweight | 456.423 |
| Molweight | 456.423 |
| MonoisotopicMass | 456.140925 |
| CLogP | 3.5274 |
| CLogS | -6.284 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 339.48 |
| Relative PSA | 0.21816 |
| PolarSurfaceArea | 83.03 |
| Druglikeness | -3.0548 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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1 - (2Z)-2-[2-(2,2-diphenylhydrazinyl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide | 2 - (2Z)-2-[2-(2,2-diphenylhydrazinyl)-2-oxoethoxy]imino-N-[3-(trifluoromethyl)phenyl]acetamide