2-phenyl-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
Formula:C15H11N2O2Br3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-phenyl-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-phenyl-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C15H11N2O2Br3 |
| Smiles | Oc(c(Br)cc(Br)c1/C=N\NC(Cc2ccccc2)=O)c1Br |
| InChI | InChI=1S/C15H11Br3N2O2/c16-11-7-12(17)15(22)14(18)10(11)8-19-20-13(21)6-9-4-2-1-3-5-9/h1-5,7-8,22H,6H2,(H,20,21) |
| InChIK | UILRCPFMXROUDK-UHFFFAOYSA-N |
| TotalMolweight | 490.976 |
| Molweight | 490.976 |
| MonoisotopicMass | 487.837061 |
| CLogP | 5.0296 |
| CLogS | -5.892 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 262.99 |
| Relative PSA | 0.18674 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 2.5525 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-phenyl-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-phenyl-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
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