N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
Formula:C15H10N3OBr3Cl2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:low
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide |
| MolecularFormula | C15H10N3OBr3Cl2 |
| Smiles | O=C(CNc(c(Br)c1)cc(Br)c1Br)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H10Br3Cl2N3O/c16-10-4-12(18)14(5-11(10)17)21-7-15(24)23-22-6-8-1-2-9(19)3-13(8)20/h1-6,21H,7H2,(H,23,24) |
| InChIK | SEVZKZBTXMFANK-UHFFFAOYSA-N |
| TotalMolweight | 558.882 |
| Molweight | 558.882 |
| MonoisotopicMass | 554.775099 |
| CLogP | 5.8811 |
| CLogS | -7.517 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 298.94 |
| Relative PSA | 0.15879 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 3.2557 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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