(2E,4E)-5-(4-chlorophenyl)penta-2,4-dienal
Formula:C11H9OCl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(2E,4E)-5-(4-chlorophenyl)penta-2,4-dienal is a drug-like molecule.
| MolName | (2E,4E)-5-(4-chlorophenyl)penta-2,4-dienal |
| MolecularFormula | C11H9OCl |
| Smiles | O=C/C=C/C=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C11H9ClO/c12-11-7-5-10(6-8-11)4-2-1-3-9-13/h1-9H |
| InChIK | YWYSVXKRVAAIPY-UHFFFAOYSA-N |
| TotalMolweight | 192.644 |
| Molweight | 192.644 |
| MonoisotopicMass | 192.034192 |
| CLogP | 2.8738 |
| CLogS | -3.28 |
| H Acceptors | 1 |
| TotalSurfaceArea | 161.22 |
| Relative PSA | 0.080883 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -4.8819 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.84615 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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