(3Z)-3-(oxiran-2-ylmethylidene)oxolan-2-one
Formula:C7H8O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(3Z)-3-(oxiran-2-ylmethylidene)oxolan-2-one is a drug-like molecule.
| MolName | (3Z)-3-(oxiran-2-ylmethylidene)oxolan-2-one |
| MolecularFormula | C7H8O3 |
| Smiles | O=C1OCC/C1=C/C1OC1 |
| InChI | InChI=1S/C7H8O3/c8-7-5(1-2-9-7)3-6-4-10-6/h3,6H,1-2,4H2/t6-/m1/s1 |
| InChIK | GGDFWICLZVXAER-ZCFIWIBFSA-N |
| TotalMolweight | 140.138 |
| Molweight | 140.138 |
| MonoisotopicMass | 140.047345 |
| CLogP | -0.1799 |
| CLogS | -0.984 |
| H Acceptors | 3 |
| TotalSurfaceArea | 110.39 |
| Relative PSA | 0.3686 |
| PolarSurfaceArea | 38.83 |
| Druglikeness | -2.8295 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 6 |
| StereoCon | racemate |
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