(E)-1-(5-fluoro-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
Formula:C15H11O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(5-fluoro-2-hydroxyphenyl)-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(5-fluoro-2-hydroxyphenyl)-3-phenylprop-2-en-1-one |
| MolecularFormula | C15H11O2F |
| Smiles | Oc(ccc(F)c1)c1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C15H11FO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H |
| InChIK | FYCMOVNYZGSAEB-UHFFFAOYSA-N |
| TotalMolweight | 242.248 |
| Molweight | 242.248 |
| MonoisotopicMass | 242.074308 |
| CLogP | 3.0589 |
| CLogS | -3.858 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 189.97 |
| Relative PSA | 0.1376 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -1.2064 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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