(2-oxooxolan-3-yl) (E)-3-(furan-2-yl)prop-2-enoate
Formula:C11H10O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2-oxooxolan-3-yl) (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | (2-oxooxolan-3-yl) (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C11H10O5 |
| Smiles | O=C(/C=C/c1ccco1)OC(CCO1)C1=O |
| InChI | InChI=1S/C11H10O5/c12-10(4-3-8-2-1-6-14-8)16-9-5-7-15-11(9)13/h1-4,6,9H,5,7H2/t9-/m0/s1 |
| InChIK | JCZKJWFHWRENSC-VIFPVBQESA-N |
| TotalMolweight | 222.195 |
| Molweight | 222.195 |
| MonoisotopicMass | 222.052825 |
| CLogP | 0.574 |
| CLogS | -2.206 |
| H Acceptors | 5 |
| TotalSurfaceArea | 171.47 |
| Relative PSA | 0.35102 |
| PolarSurfaceArea | 65.74 |
| Druglikeness | -1.5438 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
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