N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
Formula:C22H17N2O3Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide |
| MolecularFormula | C22H17N2O3Cl3 |
| Smiles | O=C(COc(c(Cl)cc(Cl)c1)c1Cl)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C22H17Cl3N2O3/c23-17-10-19(24)22(20(25)11-17)30-14-21(28)27-26-12-15-6-8-18(9-7-15)29-13-16-4-2-1-3-5-16/h1-12H,13-14H2,(H,27,28) |
| InChIK | OHDMFUXGIZHQRU-UHFFFAOYSA-N |
| TotalMolweight | 463.747 |
| Molweight | 463.747 |
| MonoisotopicMass | 462.030474 |
| CLogP | 5.9426 |
| CLogS | -7.05 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 340.53 |
| Relative PSA | 0.16448 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.2278 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| StereoCon |
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