(3Z)-3-[(5Z)-5-(2-oxooxolan-3-ylidene)pentylidene]oxolan-2-one
Formula:C13H16O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(5Z)-5-(2-oxooxolan-3-ylidene)pentylidene]oxolan-2-one is a drug-like molecule.
| MolName | (3Z)-3-[(5Z)-5-(2-oxooxolan-3-ylidene)pentylidene]oxolan-2-one |
| MolecularFormula | C13H16O4 |
| Smiles | O=C1OCC/C1=C/CCC/C=C(/CCO1)\C1=O |
| InChI | InChI=1S/C13H16O4/c14-12-10(6-8-16-12)4-2-1-3-5-11-7-9-17-13(11)15/h4-5H,1-3,6-9H2 |
| InChIK | BRVLHFJDNFUBMA-UHFFFAOYSA-N |
| TotalMolweight | 236.266 |
| Molweight | 236.266 |
| MonoisotopicMass | 236.10486 |
| CLogP | 1.6072 |
| CLogS | -2.104 |
| H Acceptors | 4 |
| TotalSurfaceArea | 187.74 |
| Relative PSA | 0.24545 |
| PolarSurfaceArea | 52.6 |
| Druglikeness | -3.5478 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 9 |
| Symmetricatoms | 8 |
| StereoCon |
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