(3E,5E)-3,5-bis(furan-2-ylmethylidene)oxan-4-one
Formula:C15H12O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(3E,5E)-3,5-bis(furan-2-ylmethylidene)oxan-4-one is a drug-like molecule.
| MolName | (3E,5E)-3,5-bis(furan-2-ylmethylidene)oxan-4-one |
| MolecularFormula | C15H12O4 |
| Smiles | O=C(/C(/COC1)=C/c2ccco2)/C1=C/c1ccco1 |
| InChI | InChI=1S/C15H12O4/c16-15-11(7-13-3-1-5-18-13)9-17-10-12(15)8-14-4-2-6-19-14/h1-8H,9-10H2 |
| InChIK | MNHJLXNOILHBHI-UHFFFAOYSA-N |
| TotalMolweight | 256.256 |
| Molweight | 256.256 |
| MonoisotopicMass | 256.07356 |
| CLogP | 2.0514 |
| CLogS | -3.065 |
| H Acceptors | 4 |
| TotalSurfaceArea | 203.59 |
| Relative PSA | 0.25178 |
| PolarSurfaceArea | 52.58 |
| Druglikeness | -1.528 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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