2-(4-cyanophenoxy)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide
Formula:C16H8N3O2F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-cyanophenoxy)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-cyanophenoxy)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H8N3O2F5 |
| Smiles | N#Cc(cc1)ccc1OCC(N/N=C\c(c(F)c(c(F)c1F)F)c1F)=O |
| InChI | InChI=1S/C16H8F5N3O2/c17-12-10(13(18)15(20)16(21)14(12)19)6-23-24-11(25)7-26-9-3-1-8(5-22)2-4-9/h1-4,6H,7H2,(H,24,25) |
| InChIK | HGQIQBXYINMJOU-UHFFFAOYSA-N |
| TotalMolweight | 369.249 |
| Molweight | 369.249 |
| MonoisotopicMass | 369.053667 |
| CLogP | 3.1161 |
| CLogS | -5.844 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 264.21 |
| Relative PSA | 0.22546 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -1.4234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 2-(4-cyanophenoxy)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide | 2 - 2-(4-cyanophenoxy)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide
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