N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylacetamide
Formula:C15H9N2OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylacetamide |
| MolecularFormula | C15H9N2OF5 |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C15H9F5N2O/c16-11-9(12(17)14(19)15(20)13(11)18)7-21-22-10(23)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,22,23) |
| InChIK | BUYBINQOYAUZNI-UHFFFAOYSA-N |
| TotalMolweight | 328.239 |
| Molweight | 328.239 |
| MonoisotopicMass | 328.063503 |
| CLogP | 3.7037 |
| CLogS | -5.256 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 232.5 |
| Relative PSA | 0.15488 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.0305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylacetamide | 2 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylacetamide
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