(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C24H19O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C24H19O4F |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCCO2)c(cc(cc1)F)c1OCc1ccccc1 |
| InChI | InChI=1S/C24H19FO4/c25-19-8-11-22(29-16-18-4-2-1-3-5-18)20(15-19)21(26)9-6-17-7-10-23-24(14-17)28-13-12-27-23/h1-11,14-15H,12-13,16H2 |
| InChIK | NIYHCDRQPFHLCZ-UHFFFAOYSA-N |
| TotalMolweight | 390.409 |
| Molweight | 390.409 |
| MonoisotopicMass | 390.126738 |
| CLogP | 4.7315 |
| CLogS | -5.677 |
| H Acceptors | 4 |
| TotalSurfaceArea | 301.16 |
| Relative PSA | 0.14291 |
| PolarSurfaceArea | 44.76 |
| Druglikeness | -8.3575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one | 2 - (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off