(2-oxooxolan-3-yl) (Z)-2,3-dithiophen-2-ylprop-2-enoate
Formula:C15H12O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-oxooxolan-3-yl) (Z)-2,3-dithiophen-2-ylprop-2-enoate is a drug-like molecule.
| MolName | (2-oxooxolan-3-yl) (Z)-2,3-dithiophen-2-ylprop-2-enoate |
| MolecularFormula | C15H12O4S2 |
| Smiles | O=C(/C(/c1cccs1)=C/c1cccs1)OC(CCO1)C1=O |
| InChI | InChI=1S/C15H12O4S2/c16-14(19-12-5-6-18-15(12)17)11(13-4-2-8-21-13)9-10-3-1-7-20-10/h1-4,7-9,12H,5-6H2/t12-/m0/s1 |
| InChIK | KJDQFLACRDOZLI-LBPRGKRZSA-N |
| TotalMolweight | 320.388 |
| Molweight | 320.388 |
| MonoisotopicMass | 320.0177 |
| CLogP | 2.4553 |
| CLogS | -3.501 |
| H Acceptors | 4 |
| TotalSurfaceArea | 231.63 |
| Relative PSA | 0.37474 |
| PolarSurfaceArea | 109.08 |
| Druglikeness | 2.742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
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