(E)-4-(4-fluorophenyl)-4-oxobut-2-enoate
Formula:C10H6O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(4-fluorophenyl)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(4-fluorophenyl)-4-oxobut-2-enoate |
| MolecularFormula | C10H6O3F |
| Smiles | [O-]C(/C=C/C(c(cc1)ccc1F)=O)=O |
| InChI | InChI=1S/C10H7FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-6H,(H,13,14)/p-1 |
| InChIK | CMSWGWOQRTZZAS-UHFFFAOYSA-M |
| TotalMolweight | 193.153 |
| Molweight | 193.153 |
| MonoisotopicMass | 193.030098 |
| CLogP | -1.0641 |
| CLogS | -2.401 |
| H Acceptors | 3 |
| TotalSurfaceArea | 149.14 |
| Relative PSA | 0.27062 |
| PolarSurfaceArea | 57.2 |
| Druglikeness | -0.89057 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-4-(4-fluorophenyl)-4-oxobut-2-enoate | 2 - (E)-4-(4-fluorophenyl)-4-oxobut-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off