(E)-1-(4-chlorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
Formula:C19H12O2ClF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C19H12O2ClF |
| Smiles | O=C(/C=C/c1ccc(-c(cc2)ccc2F)o1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H12ClFO2/c20-15-5-1-13(2-6-15)18(22)11-9-17-10-12-19(23-17)14-3-7-16(21)8-4-14/h1-12H |
| InChIK | RTGUXEXVBZWXHI-UHFFFAOYSA-N |
| TotalMolweight | 326.753 |
| Molweight | 326.753 |
| MonoisotopicMass | 326.050985 |
| CLogP | 4.9495 |
| CLogS | -6.35 |
| H Acceptors | 2 |
| TotalSurfaceArea | 248.49 |
| Relative PSA | 0.10926 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | 0.48304 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| StereoCon |
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