N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-4-fluorobenzamide
Formula:C16H12N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-4-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-4-fluorobenzamide |
| MolecularFormula | C16H12N3O2F |
| Smiles | N#CCOc1ccc(/C=N\NC(c(cc2)ccc2F)=O)cc1 |
| InChI | InChI=1S/C16H12FN3O2/c17-14-5-3-13(4-6-14)16(21)20-19-11-12-1-7-15(8-2-12)22-10-9-18/h1-8,11H,10H2,(H,20,21) |
| InChIK | SKVNJLJDIGKOAC-UHFFFAOYSA-N |
| TotalMolweight | 297.288 |
| Molweight | 297.288 |
| MonoisotopicMass | 297.091355 |
| CLogP | 2.8843 |
| CLogS | -4.501 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 238.81 |
| Relative PSA | 0.24945 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -1.5995 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-4-fluorobenzamide | 2 - N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-4-fluorobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off