(E)-1-(5-fluoro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
Formula:C13H9O3F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-1-(5-fluoro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(5-fluoro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one |
| MolecularFormula | C13H9O3F |
| Smiles | Oc(ccc(F)c1)c1C(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C13H9FO3/c14-9-3-5-12(15)11(8-9)13(16)6-4-10-2-1-7-17-10/h1-8,15H |
| InChIK | MHKPYZMVWULMGR-UHFFFAOYSA-N |
| TotalMolweight | 232.209 |
| Molweight | 232.209 |
| MonoisotopicMass | 232.053573 |
| CLogP | 2.2476 |
| CLogS | -3.54 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 179.66 |
| Relative PSA | 0.22403 |
| PolarSurfaceArea | 50.44 |
| Druglikeness | -1.0035 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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