N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
Formula:C16H12N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide |
| MolecularFormula | C16H12N3O2F |
| Smiles | N#Cc1ccc(/C=N\NC(COc(cccc2)c2F)=O)cc1 |
| InChI | InChI=1S/C16H12FN3O2/c17-14-3-1-2-4-15(14)22-11-16(21)20-19-10-13-7-5-12(9-18)6-8-13/h1-8,10H,11H2,(H,20,21) |
| InChIK | FVDUMSFDERFRSQ-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 - N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide | 2 - N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
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