(E)-1,1-difluoro-6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
Formula:C12H10O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,1-difluoro-6-(2-hydroxyphenyl)hex-5-ene-2,4-dione is a drug-like molecule.
| MolName | (E)-1,1-difluoro-6-(2-hydroxyphenyl)hex-5-ene-2,4-dione |
| MolecularFormula | C12H10O3F2 |
| Smiles | Oc1c(/C=C/C(CC(C(F)F)=O)=O)cccc1 |
| InChI | InChI=1S/C12H10F2O3/c13-12(14)11(17)7-9(15)6-5-8-3-1-2-4-10(8)16/h1-6,12,16H,7H2 |
| InChIK | PQLACCGHLDAVPV-UHFFFAOYSA-N |
| TotalMolweight | 240.204 |
| Molweight | 240.204 |
| MonoisotopicMass | 240.059801 |
| CLogP | 1.4295 |
| CLogS | -2.813 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 180.57 |
| Relative PSA | 0.21698 |
| PolarSurfaceArea | 54.37 |
| Druglikeness | -12.934 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1,1-difluoro-6-(2-hydroxyphenyl)hex-5-ene-2,4-dione | 2 - (E)-1,1-difluoro-6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off