4-amino-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
Formula:C14H8N3OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H8N3OF5 |
| Smiles | Nc(cc1)ccc1C(N/N=C\c(c(F)c(c(F)c1F)F)c1F)=O |
| InChI | InChI=1S/C14H8F5N3O/c15-9-8(10(16)12(18)13(19)11(9)17)5-21-22-14(23)6-1-3-7(20)4-2-6/h1-5H,20H2,(H,22,23) |
| InChIK | LLLUDJAUOKWYAY-UHFFFAOYSA-N |
| TotalMolweight | 329.228 |
| Molweight | 329.228 |
| MonoisotopicMass | 329.058752 |
| CLogP | 3.0283 |
| CLogS | -5.367 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 227.26 |
| Relative PSA | 0.22564 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 3.0505 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-amino-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide | 2 - 4-amino-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
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