N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
Formula:C15H11N3OBr3F
Mutagenic:high
Tumorigenic:low
Reproductive Effective:low
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide |
| MolecularFormula | C15H11N3OBr3F |
| Smiles | O=C(CNc(c(Br)c1)cc(Br)c1Br)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C15H11Br3FN3O/c16-11-5-13(18)14(6-12(11)17)20-8-15(23)22-21-7-9-1-3-10(19)4-2-9/h1-7,20H,8H2,(H,22,23) |
| InChIK | JLLVKVCQBCDHDL-UHFFFAOYSA-N |
| TotalMolweight | 507.982 |
| Molweight | 507.982 |
| MonoisotopicMass | 504.843623 |
| CLogP | 4.7699 |
| CLogS | -6.359 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 274.45 |
| Relative PSA | 0.17296 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 1.9001 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide | 2 - N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
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