2-(2,5-dichlorophenoxy)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C22H18N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(2,5-dichlorophenoxy)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(2,5-dichlorophenoxy)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C22H18N2O3Cl2 |
| Smiles | O=C(COc(cc(cc1)Cl)c1Cl)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C22H18Cl2N2O3/c23-18-9-10-20(24)21(12-18)29-15-22(27)26-25-13-17-7-4-8-19(11-17)28-14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,26,27) |
| InChIK | NVIDGAWTUOJBSX-UHFFFAOYSA-N |
| TotalMolweight | 429.302 |
| Molweight | 429.302 |
| MonoisotopicMass | 428.069447 |
| CLogP | 5.3366 |
| CLogS | -6.314 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 325.11 |
| Relative PSA | 0.17228 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.2278 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(2,5-dichlorophenoxy)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-(2,5-dichlorophenoxy)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
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