(E)-3-(2-ethoxynaphthalen-1-yl)-1-(4-fluorophenyl)prop-2-en-1-one
Formula:C21H17O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-ethoxynaphthalen-1-yl)-1-(4-fluorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2-ethoxynaphthalen-1-yl)-1-(4-fluorophenyl)prop-2-en-1-one |
| MolecularFormula | C21H17O2F |
| Smiles | CCOc1c(/C=C/C(c(cc2)ccc2F)=O)c2ccccc2cc1 |
| InChI | InChI=1S/C21H17FO2/c1-2-24-21-14-9-15-5-3-4-6-18(15)19(21)12-13-20(23)16-7-10-17(22)11-8-16/h3-14H,2H2,1H3 |
| InChIK | WQNHNDQGSYGWHA-UHFFFAOYSA-N |
| TotalMolweight | 320.362 |
| Molweight | 320.362 |
| MonoisotopicMass | 320.121258 |
| CLogP | 4.9353 |
| CLogS | -6.078 |
| H Acceptors | 2 |
| TotalSurfaceArea | 254.24 |
| Relative PSA | 0.090623 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -2.7045 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(2-ethoxynaphthalen-1-yl)-1-(4-fluorophenyl)prop-2-en-1-one | 2 - (E)-3-(2-ethoxynaphthalen-1-yl)-1-(4-fluorophenyl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off