(E)-3-naphthalen-1-yl-1-phenylprop-2-en-1-one
Formula:C19H14O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-naphthalen-1-yl-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-naphthalen-1-yl-1-phenylprop-2-en-1-one |
| MolecularFormula | C19H14O |
| Smiles | O=C(/C=C/c1cccc2ccccc12)c1ccccc1 |
| InChI | InChI=1S/C19H14O/c20-19(17-8-2-1-3-9-17)14-13-16-11-6-10-15-7-4-5-12-18(15)16/h1-14H |
| InChIK | DUXOKTVNGKSFTK-UHFFFAOYSA-N |
| TotalMolweight | 258.319 |
| Molweight | 258.319 |
| MonoisotopicMass | 258.104465 |
| CLogP | 4.4982 |
| CLogS | -5.446 |
| H Acceptors | 1 |
| TotalSurfaceArea | 211.87 |
| Relative PSA | 0.061547 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.1125 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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