2-(3-bromophenoxy)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
Formula:C15H10N2O3Br4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(3-bromophenoxy)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(3-bromophenoxy)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C15H10N2O3Br4 |
| Smiles | Oc(c(Br)cc(Br)c1/C=N\NC(COc2cc(Br)ccc2)=O)c1Br |
| InChI | InChI=1S/C15H10Br4N2O3/c16-8-2-1-3-9(4-8)24-7-13(22)21-20-6-10-11(17)5-12(18)15(23)14(10)19/h1-6,23H,7H2,(H,21,22) |
| InChIK | WBWXLPNNIQELQS-UHFFFAOYSA-N |
| TotalMolweight | 585.871 |
| Molweight | 585.871 |
| MonoisotopicMass | 581.742487 |
| CLogP | 5.3316 |
| CLogS | -6.541 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 291.62 |
| Relative PSA | 0.2027 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 2.3916 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.625 |
| 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 | 3 |
| StereoCon |
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1 - 2-(3-bromophenoxy)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-(3-bromophenoxy)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
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