(2E)-penta-2,4-dienal
Formula:C5H6O
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(2E)-penta-2,4-dienal is a drug-like molecule.
| MolName | (2E)-penta-2,4-dienal |
| MolecularFormula | C5H6O |
| Smiles | C=C/C=C/C=O |
| InChI | InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2 |
| InChIK | PPXGQLMPUIVFRE-UHFFFAOYSA-N |
| TotalMolweight | 82.1016 |
| Molweight | 82.1016 |
| MonoisotopicMass | 82.041865 |
| CLogP | 0.7637 |
| CLogS | -1.213 |
| H Acceptors | 1 |
| TotalSurfaceArea | 84.08 |
| Relative PSA | 0.15509 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -9.4092 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 1 |
| Fragments | 1 |
| Non HAtoms | 6 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| StereoCon |
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