(2Z,4Z,6Z)-9-oxabicyclo[6.1.0]nona-2,4,6-triene
Formula:C8H8O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,4Z,6Z)-9-oxabicyclo[6.1.0]nona-2,4,6-triene is a drug-like molecule.
| MolName | (2Z,4Z,6Z)-9-oxabicyclo[6.1.0]nona-2,4,6-triene |
| MolecularFormula | C8H8O |
| Smiles | C1=C\C=C/C=C\C2OC12 |
| InChI | InChI=1S/C8H8O/c1-2-4-6-8-7(9-8)5-3-1/h1-8H/b2-1?,5-3-,6-4? |
| InChIK | ARPXTOVKVYWOBH-FWXZDEHOSA-N |
| TotalMolweight | 120.151 |
| Molweight | 120.151 |
| MonoisotopicMass | 120.057515 |
| CLogP | 1.504 |
| CLogS | -1.689 |
| H Acceptors | 1 |
| TotalSurfaceArea | 108.65 |
| Relative PSA | 0.16245 |
| PolarSurfaceArea | 12.53 |
| Druglikeness | 0.097751 |
| Mutagenic | none |
| Tumorigenic | none |
| 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 | 3 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
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