2-(4-chlorophenyl)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
Formula:C15H10N2O2Br3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chlorophenyl)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C15H10N2O2Br3Cl |
| Smiles | Oc(c(Br)cc(Br)c1/C=N\NC(Cc(cc2)ccc2Cl)=O)c1Br |
| InChI | InChI=1S/C15H10Br3ClN2O2/c16-11-6-12(17)15(23)14(18)10(11)7-20-21-13(22)5-8-1-3-9(19)4-2-8/h1-4,6-7,23H,5H2,(H,21,22) |
| InChIK | FXWKYZYBYVLBGX-UHFFFAOYSA-N |
| TotalMolweight | 525.421 |
| Molweight | 525.421 |
| MonoisotopicMass | 521.798088 |
| CLogP | 5.6356 |
| CLogS | -6.628 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 278.41 |
| Relative PSA | 0.17639 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 2.5772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-(4-chlorophenyl)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-(4-chlorophenyl)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
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