(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
Formula:C19H12O2BrF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one |
| MolecularFormula | C19H12O2BrF |
| Smiles | O=C(/C=C/c1ccc(-c(cc2)ccc2Br)o1)c(cc1)ccc1F |
| InChI | InChI=1S/C19H12BrFO2/c20-15-5-1-14(2-6-15)19-12-10-17(23-19)9-11-18(22)13-3-7-16(21)8-4-13/h1-12H |
| InChIK | ZVXNLUOEWFXBCO-UHFFFAOYSA-N |
| TotalMolweight | 371.204 |
| Molweight | 371.204 |
| MonoisotopicMass | 370.000469 |
| CLogP | 5.0687 |
| CLogS | -6.448 |
| H Acceptors | 2 |
| TotalSurfaceArea | 251.7 |
| Relative PSA | 0.10787 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | -1.3776 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one | 2 - (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off