(3E)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-5-(4-fluorophenyl)furan-2-one
Formula:C24H16O3ClF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(3E)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-5-(4-fluorophenyl)furan-2-one is not a drug-like molecule.
| MolName | (3E)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-5-(4-fluorophenyl)furan-2-one |
| MolecularFormula | C24H16O3ClF |
| Smiles | O=C1OC(c(cc2)ccc2F)=C/C1=C\c(cc1)ccc1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C24H16ClFO3/c25-20-7-1-17(2-8-20)15-28-22-11-3-16(4-12-22)13-19-14-23(29-24(19)27)18-5-9-21(26)10-6-18/h1-14H,15H2 |
| InChIK | RLJAVNUTMIAJFQ-UHFFFAOYSA-N |
| TotalMolweight | 406.839 |
| Molweight | 406.839 |
| MonoisotopicMass | 406.0772 |
| CLogP | 5.4781 |
| CLogS | -6.068 |
| H Acceptors | 3 |
| TotalSurfaceArea | 301.98 |
| Relative PSA | 0.10941 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -1.4875 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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