N-[(Z)-benzylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
Formula:C15H11N2O2Br3
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-benzylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(2,4,6-tribromophenoxy)acetamide |
| MolecularFormula | C15H11N2O2Br3 |
| Smiles | O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H11Br3N2O2/c16-11-6-12(17)15(13(18)7-11)22-9-14(21)20-19-8-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,21) |
| InChIK | PEZGAOLRWQYYRB-UHFFFAOYSA-N |
| TotalMolweight | 490.976 |
| Molweight | 490.976 |
| MonoisotopicMass | 487.837061 |
| CLogP | 4.9521 |
| CLogS | -6.003 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 266.64 |
| Relative PSA | 0.17255 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.4066 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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