2-[(E)-2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione
Formula:C26H16O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione is not a drug-like molecule.
| MolName | 2-[(E)-2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione |
| MolecularFormula | C26H16O3 |
| Smiles | O=C(c1c2cccc1)c(ccc(/C=C/c1ccc(-c3ccccc3)o1)c1)c1C2=O |
| InChI | InChI=1S/C26H16O3/c27-25-20-8-4-5-9-21(20)26(28)23-16-17(11-14-22(23)25)10-12-19-13-15-24(29-19)18-6-2-1-3-7-18/h1-16H |
| InChIK | ZWJVWTMBAFMMBH-UHFFFAOYSA-N |
| TotalMolweight | 376.41 |
| Molweight | 376.41 |
| MonoisotopicMass | 376.109945 |
| CLogP | 6.1793 |
| CLogS | -8.326 |
| H Acceptors | 3 |
| TotalSurfaceArea | 290.73 |
| Relative PSA | 0.13824 |
| PolarSurfaceArea | 47.28 |
| Druglikeness | 1.0576 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 2 |
| StereoCon |
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