(E)-3-(2-fluorophenyl)-1-(furan-3-yl)prop-2-en-1-one
Formula:C13H9O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-3-(2-fluorophenyl)-1-(furan-3-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2-fluorophenyl)-1-(furan-3-yl)prop-2-en-1-one |
| MolecularFormula | C13H9O2F |
| Smiles | O=C(/C=C/c(cccc1)c1F)c1cocc1 |
| InChI | InChI=1S/C13H9FO2/c14-12-4-2-1-3-10(12)5-6-13(15)11-7-8-16-9-11/h1-9H |
| InChIK | ASLWPEBMDDFAKS-UHFFFAOYSA-N |
| TotalMolweight | 216.21 |
| Molweight | 216.21 |
| MonoisotopicMass | 216.058658 |
| CLogP | 2.5393 |
| CLogS | -3.812 |
| H Acceptors | 2 |
| TotalSurfaceArea | 173.31 |
| Relative PSA | 0.15666 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | -0.73381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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