N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
Formula:C15H9N3O4Br3Cl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide |
| MolecularFormula | C15H9N3O4Br3Cl |
| Smiles | [O-][N+](c(cc(/C=N\NC(COc(c(Br)cc(Br)c1)c1Br)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C15H9Br3ClN3O4/c16-9-4-10(17)15(11(18)5-9)26-7-14(23)21-20-6-8-1-2-12(19)13(3-8)22(24)25/h1-6H,7H2,(H,21,23) |
| InChIK | KRHSXCVQCRHZIQ-UHFFFAOYSA-N |
| TotalMolweight | 570.418 |
| Molweight | 570.418 |
| MonoisotopicMass | 566.783167 |
| CLogP | 4.6365 |
| CLogS | -7.199 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 305.73 |
| Relative PSA | 0.24999 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.6793 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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