N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
Formula:C13H9N2O3BrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide |
| MolecularFormula | C13H9N2O3BrCl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c(o1)ccc1Br |
| InChI | InChI=1S/C13H9BrCl2N2O3/c14-12-4-2-9(21-12)6-17-18-13(19)7-20-11-3-1-8(15)5-10(11)16/h1-6H,7H2,(H,18,19) |
| InChIK | DOEUWVMOAFNBIM-UHFFFAOYSA-N |
| TotalMolweight | 392.035 |
| Molweight | 392.035 |
| MonoisotopicMass | 389.917358 |
| CLogP | 3.9998 |
| CLogS | -5.252 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 249.91 |
| Relative PSA | 0.24057 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 3.1337 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| StereoCon |
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