(E)-1-naphthalen-2-yl-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
Formula:C19H9OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-naphthalen-2-yl-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-naphthalen-2-yl-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one |
| MolecularFormula | C19H9OF5 |
| Smiles | O=C(/C=C/c(c(F)c(c(F)c1F)F)c1F)c1cc2ccccc2cc1 |
| InChI | InChI=1S/C19H9F5O/c20-15-13(16(21)18(23)19(24)17(15)22)7-8-14(25)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H |
| InChIK | DPPDLJDJOZRYPM-UHFFFAOYSA-N |
| TotalMolweight | 348.269 |
| Molweight | 348.269 |
| MonoisotopicMass | 348.057355 |
| CLogP | 5.0022 |
| CLogS | -7.016 |
| H Acceptors | 1 |
| TotalSurfaceArea | 243.62 |
| Relative PSA | 0.053526 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.2275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (E)-1-naphthalen-2-yl-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one | 2 - (E)-1-naphthalen-2-yl-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
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