2-(4-cyanophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C14H11N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2-(4-cyanophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-cyanophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C14H11N3O3 |
| Smiles | N#Cc(cc1)ccc1OCC(N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C14H11N3O3/c15-8-11-3-5-12(6-4-11)20-10-14(18)17-16-9-13-2-1-7-19-13/h1-7,9H,10H2,(H,17,18) |
| InChIK | MTKKPDHHAOANNH-UHFFFAOYSA-N |
| TotalMolweight | 269.259 |
| Molweight | 269.259 |
| MonoisotopicMass | 269.080042 |
| CLogP | 1.8008 |
| CLogS | -3.956 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 222.15 |
| Relative PSA | 0.33167 |
| PolarSurfaceArea | 87.62 |
| Druglikeness | -0.13559 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(4-cyanophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-(4-cyanophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
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