N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
Formula:C15H11N2O3Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide |
| MolecularFormula | C15H11N2O3Cl3 |
| Smiles | Oc1cccc(/C=N\NC(COc(c(Cl)cc(Cl)c2)c2Cl)=O)c1 |
| InChI | InChI=1S/C15H11Cl3N2O3/c16-10-5-12(17)15(13(18)6-10)23-8-14(22)20-19-7-9-2-1-3-11(21)4-9/h1-7,21H,8H2,(H,20,22) |
| InChIK | CDUUTKDBYPHNQW-UHFFFAOYSA-N |
| TotalMolweight | 373.622 |
| Molweight | 373.622 |
| MonoisotopicMass | 371.983524 |
| CLogP | 4.2488 |
| CLogS | -5.413 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 263.36 |
| Relative PSA | 0.22445 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 4.2165 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| 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 | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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