2-(2,4-dichlorophenoxy)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C21H16N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(2,4-dichlorophenoxy)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(2,4-dichlorophenoxy)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C21H16N2O3Cl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H16Cl2N2O3/c22-16-9-10-20(19(23)12-16)27-14-21(26)25-24-13-15-5-4-8-18(11-15)28-17-6-2-1-3-7-17/h1-13H,14H2,(H,25,26) |
| InChIK | YHNKYPDLYRGJPJ-UHFFFAOYSA-N |
| TotalMolweight | 415.275 |
| Molweight | 415.275 |
| MonoisotopicMass | 414.053797 |
| CLogP | 5.3841 |
| CLogS | -7.27 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 311.35 |
| Relative PSA | 0.17989 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.2278 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(2,4-dichlorophenoxy)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-(2,4-dichlorophenoxy)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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