(E)-2-cyano-3-(4-cyanophenyl)-N-(4-fluorophenyl)prop-2-enamide
Formula:C17H10N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-(4-cyanophenyl)-N-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(4-cyanophenyl)-N-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C17H10N3OF |
| Smiles | N#C/C(/C(Nc(cc1)ccc1F)=O)=C\c(cc1)ccc1C#N |
| InChI | InChI=1S/C17H10FN3O/c18-15-5-7-16(8-6-15)21-17(22)14(11-20)9-12-1-3-13(10-19)4-2-12/h1-9H,(H,21,22) |
| InChIK | ATKSHJPRSCFUOR-UHFFFAOYSA-N |
| TotalMolweight | 291.284 |
| Molweight | 291.284 |
| MonoisotopicMass | 291.08079 |
| CLogP | 2.9247 |
| CLogS | -4.857 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 236.71 |
| Relative PSA | 0.21807 |
| PolarSurfaceArea | 76.68 |
| Druglikeness | -3.0989 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-cyano-3-(4-cyanophenyl)-N-(4-fluorophenyl)prop-2-enamide | 2 - (E)-2-cyano-3-(4-cyanophenyl)-N-(4-fluorophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off