N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]-2-phenoxyacetamide
Formula:C17H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]-2-phenoxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]-2-phenoxyacetamide |
| MolecularFormula | C17H15N3O3 |
| Smiles | N#CCOc1c(/C=N\NC(COc2ccccc2)=O)cccc1 |
| InChI | InChI=1S/C17H15N3O3/c18-10-11-22-16-9-5-4-6-14(16)12-19-20-17(21)13-23-15-7-2-1-3-8-15/h1-9,12H,11,13H2,(H,20,21) |
| InChIK | SNFDSGQTVVZHRN-UHFFFAOYSA-N |
| TotalMolweight | 309.324 |
| Molweight | 309.324 |
| MonoisotopicMass | 309.111342 |
| CLogP | 2.3584 |
| CLogS | -3.967 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.22 |
| Relative PSA | 0.27152 |
| PolarSurfaceArea | 83.71 |
| Druglikeness | -0.083437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]-2-phenoxyacetamide | 2 - N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]-2-phenoxyacetamide
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