(E)-1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C20H13OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-naphthalen-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C20H13OF3 |
| Smiles | O=C(/C=C/c1cccc(C(F)(F)F)c1)c1cc2ccccc2cc1 |
| InChI | InChI=1S/C20H13F3O/c21-20(22,23)18-7-3-4-14(12-18)8-11-19(24)17-10-9-15-5-1-2-6-16(15)13-17/h1-13H |
| InChIK | ZRSYJBIFJXJUEK-UHFFFAOYSA-N |
| TotalMolweight | 326.316 |
| Molweight | 326.316 |
| MonoisotopicMass | 326.091849 |
| CLogP | 5.3465 |
| CLogS | -6.224 |
| H Acceptors | 1 |
| TotalSurfaceArea | 241.33 |
| Relative PSA | 0.054034 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -7.0775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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