(E)-1-(4-chlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-en-1-one
Formula:C19H11O2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C19H11O2Cl3 |
| Smiles | O=C(/C=C/c1ccc(-c(c(Cl)ccc2)c2Cl)o1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H11Cl3O2/c20-13-6-4-12(5-7-13)17(23)10-8-14-9-11-18(24-14)19-15(21)2-1-3-16(19)22/h1-11H |
| InChIK | AWPDUBJSFFASPU-UHFFFAOYSA-N |
| TotalMolweight | 377.653 |
| Molweight | 377.653 |
| MonoisotopicMass | 375.982461 |
| CLogP | 6.0607 |
| CLogS | -7.508 |
| H Acceptors | 2 |
| TotalSurfaceArea | 272.98 |
| Relative PSA | 0.099458 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | 1.823 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 5 |
| StereoCon |
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