(E)-3-(furan-3-yl)-1-phenylprop-2-en-1-one
Formula:C13H10O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-3-yl)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(furan-3-yl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C13H10O2 |
| Smiles | O=C(/C=C/c1cocc1)c1ccccc1 |
| InChI | InChI=1S/C13H10O2/c14-13(12-4-2-1-3-5-12)7-6-11-8-9-15-10-11/h1-10H |
| InChIK | SZXYNCIHDTYDIG-UHFFFAOYSA-N |
| TotalMolweight | 198.22 |
| Molweight | 198.22 |
| MonoisotopicMass | 198.06808 |
| CLogP | 2.4385 |
| CLogS | -3.498 |
| H Acceptors | 2 |
| TotalSurfaceArea | 166.96 |
| Relative PSA | 0.16261 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | -0.16313 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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