(3E)-3-[6-[(Z)-(2-oxooxolan-3-ylidene)methoxy]hexoxymethylidene]oxolan-2-one
Formula:C16H22O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[6-[(Z)-(2-oxooxolan-3-ylidene)methoxy]hexoxymethylidene]oxolan-2-one is a drug-like molecule.
| MolName | (3E)-3-[6-[(Z)-(2-oxooxolan-3-ylidene)methoxy]hexoxymethylidene]oxolan-2-one |
| MolecularFormula | C16H22O6 |
| Smiles | O=C1OCC/C1=C\OCCCCCCO/C=C(/CCO1)\C1=O |
| InChI | InChI=1S/C16H22O6/c17-15-13(5-9-21-15)11-19-7-3-1-2-4-8-20-12-14-6-10-22-16(14)18/h11-12H,1-10H2 |
| InChIK | NRQWKXBEBCJMGJ-UHFFFAOYSA-N |
| TotalMolweight | 310.345 |
| Molweight | 310.345 |
| MonoisotopicMass | 310.14164 |
| CLogP | 0.9794 |
| CLogS | -2.58 |
| H Acceptors | 6 |
| TotalSurfaceArea | 249.02 |
| Relative PSA | 0.26536 |
| PolarSurfaceArea | 71.06 |
| Druglikeness | -7.9592 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 14 |
| StereoCon |
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1 - (3E)-3-[6-[(Z)-(2-oxooxolan-3-ylidene)methoxy]hexoxymethylidene]oxolan-2-one | 2 - (3E)-3-[6-[(Z)-(2-oxooxolan-3-ylidene)methoxy]hexoxymethylidene]oxolan-2-one
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