(E)-3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
Formula:C19H13OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one |
| MolecularFormula | C19H13OF |
| Smiles | O=C(/C=C/c1cccc(F)c1)c1cc2ccccc2cc1 |
| InChI | InChI=1S/C19H13FO/c20-18-7-3-4-14(12-18)8-11-19(21)17-10-9-15-5-1-2-6-16(15)13-17/h1-13H |
| InChIK | KTEBAHYCNDJBLW-UHFFFAOYSA-N |
| TotalMolweight | 276.309 |
| Molweight | 276.309 |
| MonoisotopicMass | 276.095043 |
| CLogP | 4.599 |
| CLogS | -5.76 |
| H Acceptors | 1 |
| TotalSurfaceArea | 218.22 |
| Relative PSA | 0.059756 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.2275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| StereoCon |
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