N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
Formula:C15H11N3OBr4
Mutagenic:high
Tumorigenic:low
Reproductive Effective:low
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide |
| MolecularFormula | C15H11N3OBr4 |
| Smiles | O=C(CNc(c(Br)c1)cc(Br)c1Br)N/N=C\c1cc(Br)ccc1 |
| InChI | InChI=1S/C15H11Br4N3O/c16-10-3-1-2-9(4-10)7-21-22-15(23)8-20-14-6-12(18)11(17)5-13(14)19/h1-7,20H,8H2,(H,22,23) |
| InChIK | NATSLPXPTJVTGI-UHFFFAOYSA-N |
| TotalMolweight | 568.888 |
| Molweight | 568.888 |
| MonoisotopicMass | 564.763556 |
| CLogP | 5.3943 |
| CLogS | -6.879 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 286.73 |
| Relative PSA | 0.16556 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 3.2401 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65217 |
| 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 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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