(4E,8E)-dodeca-4,8-dienedial
Formula:C12H18O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(4E,8E)-dodeca-4,8-dienedial is a drug-like molecule.
| MolName | (4E,8E)-dodeca-4,8-dienedial |
| MolecularFormula | C12H18O2 |
| Smiles | O=CCC/C=C/CC/C=C/CCC=O |
| InChI | InChI=1S/C12H18O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h3-6,11-12H,1-2,7-10H2 |
| InChIK | CIGZZLYQLQLUQO-UHFFFAOYSA-N |
| TotalMolweight | 194.273 |
| Molweight | 194.273 |
| MonoisotopicMass | 194.13068 |
| CLogP | 2.7388 |
| CLogS | -2.644 |
| H Acceptors | 2 |
| TotalSurfaceArea | 188.14 |
| Relative PSA | 0.13862 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | -9.1908 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 1 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 9 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| StereoCon |
Click to Load Molecule:
1 - (4E,8E)-dodeca-4,8-dienedial | 2 - (4E,8E)-dodeca-4,8-dienedial
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off