2-(4-chlorophenoxy)-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
Formula:C17H14N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chlorophenoxy)-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenoxy)-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C17H14N3O3Cl |
| Smiles | N#CCOc1ccc(/C=N\NC(COc(cc2)ccc2Cl)=O)cc1 |
| InChI | InChI=1S/C17H14ClN3O3/c18-14-3-7-16(8-4-14)24-12-17(22)21-20-11-13-1-5-15(6-2-13)23-10-9-19/h1-8,11H,10,12H2,(H,21,22) |
| InChIK | WLRBROCKMGXYGI-UHFFFAOYSA-N |
| TotalMolweight | 343.769 |
| Molweight | 343.769 |
| MonoisotopicMass | 343.072369 |
| CLogP | 2.9644 |
| CLogS | -4.703 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 271.64 |
| Relative PSA | 0.25611 |
| PolarSurfaceArea | 83.71 |
| Druglikeness | -0.052232 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.79167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-(4-chlorophenoxy)-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide | 2 - 2-(4-chlorophenoxy)-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
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