(2Z)-9-oxabicyclo[6.1.0]non-2-ene
Formula:C8H12O
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
(2Z)-9-oxabicyclo[6.1.0]non-2-ene is a drug-like molecule.
| MolName | (2Z)-9-oxabicyclo[6.1.0]non-2-ene |
| MolecularFormula | C8H12O |
| Smiles | C1CC2OC2/C=C\CC1 |
| InChI | InChI=1S/C8H12O/c1-2-4-6-8-7(9-8)5-3-1/h3,5,7-8H,1-2,4,6H2 |
| InChIK | TWFJMNZBFSTTNG-UHFFFAOYSA-N |
| TotalMolweight | 124.182 |
| Molweight | 124.182 |
| MonoisotopicMass | 124.088815 |
| CLogP | 2.0084 |
| CLogS | -2.145 |
| H Acceptors | 1 |
| TotalSurfaceArea | 110.69 |
| Relative PSA | 0.15945 |
| PolarSurfaceArea | 12.53 |
| Druglikeness | -9.5358 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 2 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Sp3Atoms | 7 |
| StereoCon | unknown chirality |
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1 - (2Z)-9-oxabicyclo[6.1.0]non-2-ene | 2 - (2Z)-9-oxabicyclo[6.1.0]non-2-ene
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