N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-phenylacetamide
Formula:C17H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-phenylacetamide |
| MolecularFormula | C17H15N3O2 |
| Smiles | N#CCOc1ccc(/C=N\NC(Cc2ccccc2)=O)cc1 |
| InChI | InChI=1S/C17H15N3O2/c18-10-11-22-16-8-6-15(7-9-16)13-19-20-17(21)12-14-4-2-1-3-5-14/h1-9,13H,11-12H2,(H,20,21) |
| InChIK | OVHGKXUAWYGXKW-UHFFFAOYSA-N |
| TotalMolweight | 293.325 |
| Molweight | 293.325 |
| MonoisotopicMass | 293.116427 |
| CLogP | 2.7816 |
| CLogS | -4.152 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 246.22 |
| Relative PSA | 0.24194 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -0.27143 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-phenylacetamide | 2 - N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-phenylacetamide
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