(E)-1-(4-chlorophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
Formula:C19H13O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one |
| MolecularFormula | C19H13O2Cl |
| Smiles | O=C(/C=C/c1ccc(-c2ccccc2)o1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H13ClO2/c20-16-8-6-14(7-9-16)18(21)12-10-17-11-13-19(22-17)15-4-2-1-3-5-15/h1-13H |
| InChIK | OFSGICQBUNCWRD-UHFFFAOYSA-N |
| TotalMolweight | 308.763 |
| Molweight | 308.763 |
| MonoisotopicMass | 308.060407 |
| CLogP | 4.8487 |
| CLogS | -6.036 |
| H Acceptors | 2 |
| TotalSurfaceArea | 242.14 |
| Relative PSA | 0.11213 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | 1.823 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| StereoCon |
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