N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
Formula:C21H16N3O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide |
| MolecularFormula | C21H16N3O3F |
| Smiles | O=C(C(N/N=C\c(cccc1)c1F)=O)Nc(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C21H16FN3O3/c22-19-9-5-4-6-15(19)14-23-25-21(27)20(26)24-16-10-12-18(13-11-16)28-17-7-2-1-3-8-17/h1-14H,(H,24,26)(H,25,27) |
| InChIK | MIILSBDLKIKWSC-UHFFFAOYSA-N |
| TotalMolweight | 377.374 |
| Molweight | 377.374 |
| MonoisotopicMass | 377.11757 |
| CLogP | 3.6403 |
| CLogS | -6.136 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 292.31 |
| Relative PSA | 0.24122 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 2.2951 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide | 2 - N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off