(3E)-3-[[3-[(E)-(2-oxooxolan-3-ylidene)methyl]phenyl]methylidene]oxolan-2-one
Formula:C16H14O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[[3-[(E)-(2-oxooxolan-3-ylidene)methyl]phenyl]methylidene]oxolan-2-one is a drug-like molecule.
| MolName | (3E)-3-[[3-[(E)-(2-oxooxolan-3-ylidene)methyl]phenyl]methylidene]oxolan-2-one |
| MolecularFormula | C16H14O4 |
| Smiles | O=C1OCC/C1=C\c1cccc(/C=C(\CCO2)/C2=O)c1 |
| InChI | InChI=1S/C16H14O4/c17-15-13(4-6-19-15)9-11-2-1-3-12(8-11)10-14-5-7-20-16(14)18/h1-3,8-10H,4-7H2 |
| InChIK | SOURCVYNNGBLRC-UHFFFAOYSA-N |
| TotalMolweight | 270.283 |
| Molweight | 270.283 |
| MonoisotopicMass | 270.08921 |
| CLogP | 1.7944 |
| CLogS | -3.118 |
| H Acceptors | 4 |
| TotalSurfaceArea | 206.22 |
| Relative PSA | 0.22345 |
| PolarSurfaceArea | 52.6 |
| Druglikeness | 0.3043 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - (3E)-3-[[3-[(E)-(2-oxooxolan-3-ylidene)methyl]phenyl]methylidene]oxolan-2-one | 2 - (3E)-3-[[3-[(E)-(2-oxooxolan-3-ylidene)methyl]phenyl]methylidene]oxolan-2-one
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