2,3,4,5,6-pentafluoro-N-[(Z)-furan-2-ylmethylideneamino]aniline
Formula:C11H5N2OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,3,4,5,6-pentafluoro-N-[(Z)-furan-2-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | 2,3,4,5,6-pentafluoro-N-[(Z)-furan-2-ylmethylideneamino]aniline |
| MolecularFormula | C11H5N2OF5 |
| Smiles | Fc(c(N/N=C\c1ccco1)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C11H5F5N2O/c12-6-7(13)9(15)11(10(16)8(6)14)18-17-4-5-2-1-3-19-5/h1-4,18H |
| InChIK | SWCBPENQXOMVQR-UHFFFAOYSA-N |
| TotalMolweight | 276.164 |
| Molweight | 276.164 |
| MonoisotopicMass | 276.032203 |
| CLogP | 4.5336 |
| CLogS | -4.401 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 190.68 |
| Relative PSA | 0.19446 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | 0.4912 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - 2,3,4,5,6-pentafluoro-N-[(Z)-furan-2-ylmethylideneamino]aniline | 2 - 2,3,4,5,6-pentafluoro-N-[(Z)-furan-2-ylmethylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off