2-(3-bromophenoxy)-N-[(Z)-(4-iodophenyl)methylideneamino]acetamide
Formula:C15H12N2O2BrI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromophenoxy)-N-[(Z)-(4-iodophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-bromophenoxy)-N-[(Z)-(4-iodophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H12N2O2BrI |
| Smiles | O=C(COc1cc(Br)ccc1)N/N=C\c(cc1)ccc1I |
| InChI | InChI=1S/C15H12BrIN2O2/c16-12-2-1-3-14(8-12)21-10-15(20)19-18-9-11-4-6-13(17)7-5-11/h1-9H,10H2,(H,19,20) |
| InChIK | LFWBZQNIXLYBCH-UHFFFAOYSA-N |
| TotalMolweight | 459.076 |
| Molweight | 459.076 |
| MonoisotopicMass | 457.912687 |
| CLogP | 3.9388 |
| CLogS | -5.351 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 255.66 |
| Relative PSA | 0.17997 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.8554 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(3-bromophenoxy)-N-[(Z)-(4-iodophenyl)methylideneamino]acetamide | 2 - 2-(3-bromophenoxy)-N-[(Z)-(4-iodophenyl)methylideneamino]acetamide
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