(E)-1-[4-(difluoromethoxy)phenyl]-3-(2-hydroxyphenyl)prop-2-en-1-one
Formula:C16H12O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-(difluoromethoxy)phenyl]-3-(2-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[4-(difluoromethoxy)phenyl]-3-(2-hydroxyphenyl)prop-2-en-1-one |
| MolecularFormula | C16H12O3F2 |
| Smiles | Oc1c(/C=C/C(c(cc2)ccc2OC(F)F)=O)cccc1 |
| InChI | InChI=1S/C16H12F2O3/c17-16(18)21-13-8-5-12(6-9-13)15(20)10-7-11-3-1-2-4-14(11)19/h1-10,16,19H |
| InChIK | MBMAKHQCGHNEAY-UHFFFAOYSA-N |
| TotalMolweight | 290.264 |
| Molweight | 290.264 |
| MonoisotopicMass | 290.075451 |
| CLogP | 3.1275 |
| CLogS | -4.166 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 218.82 |
| Relative PSA | 0.16516 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -2.5493 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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