2-(4-cyanophenoxy)-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
Formula:C16H12N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-cyanophenoxy)-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-cyanophenoxy)-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H12N3O2F |
| Smiles | N#Cc(cc1)ccc1OCC(N/N=C\c1cccc(F)c1)=O |
| InChI | InChI=1S/C16H12FN3O2/c17-14-3-1-2-13(8-14)10-19-20-16(21)11-22-15-6-4-12(9-18)5-7-15/h1-8,10H,11H2,(H,20,21) |
| InChIK | CERTUJFLIQILAS-UHFFFAOYSA-N |
| TotalMolweight | 297.288 |
| Molweight | 297.288 |
| MonoisotopicMass | 297.091355 |
| CLogP | 2.7129 |
| CLogS | -4.588 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 238.81 |
| Relative PSA | 0.24945 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -1.4234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(4-cyanophenoxy)-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide | 2 - 2-(4-cyanophenoxy)-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
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