N-[(E)-(4-fluorophenyl)methylideneamino]-1-benzofuran-2-carboxamide
Formula:C16H11N2O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(4-fluorophenyl)methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(4-fluorophenyl)methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C16H11N2O2F |
| Smiles | O=C(c1cc(cccc2)c2o1)N/N=C/c(cc1)ccc1F |
| InChI | InChI=1S/C16H11FN2O2/c17-13-7-5-11(6-8-13)10-18-19-16(20)15-9-12-3-1-2-4-14(12)21-15/h1-10H,(H,19,20) |
| InChIK | XHHMDKNDWQTODN-UHFFFAOYSA-N |
| TotalMolweight | 282.273 |
| Molweight | 282.273 |
| MonoisotopicMass | 282.080456 |
| CLogP | 3.808 |
| CLogS | -5.218 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 217.63 |
| Relative PSA | 0.2303 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 3.3413 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-(4-fluorophenyl)methylideneamino]-1-benzofuran-2-carboxamide | 2 - N-[(E)-(4-fluorophenyl)methylideneamino]-1-benzofuran-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off