(E)-3-(furan-2-yl)-1-naphthalen-1-ylprop-2-en-1-one
Formula:C17H12O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(furan-2-yl)-1-naphthalen-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-1-naphthalen-1-ylprop-2-en-1-one |
| MolecularFormula | C17H12O2 |
| Smiles | O=C(/C=C/c1ccco1)c1cccc2ccccc12 |
| InChI | InChI=1S/C17H12O2/c18-17(11-10-14-7-4-12-19-14)16-9-3-6-13-5-1-2-8-15(13)16/h1-12H |
| InChIK | FJJLGOOMXSGOBD-UHFFFAOYSA-N |
| TotalMolweight | 248.28 |
| Molweight | 248.28 |
| MonoisotopicMass | 248.08373 |
| CLogP | 3.6869 |
| CLogS | -5.128 |
| H Acceptors | 2 |
| TotalSurfaceArea | 201.56 |
| Relative PSA | 0.1347 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | 0.2819 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| StereoCon |
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