(1E,5E)-cycloocta-1,5-diene
Formula:C8H12
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E,5E)-cycloocta-1,5-diene is a drug-like molecule.
| MolName | (1E,5E)-cycloocta-1,5-diene |
| MolecularFormula | C8H12 |
| Smiles | C1/C=C\CC/C=C\C1 |
| InChI | InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7? |
| InChIK | VYXHVRARDIDEHS-HASIUUCGSA-N |
| TotalMolweight | 108.183 |
| Molweight | 108.183 |
| MonoisotopicMass | 108.0939 |
| CLogP | 3.1308 |
| CLogS | -2.234 |
| TotalSurfaceArea | 108.04 |
| Druglikeness | -9.6685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 8 |
| Rings Closures | 1 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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