(2E,4E)-5-phenylpenta-2,4-dienenitrile
Formula:C11H9N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,4E)-5-phenylpenta-2,4-dienenitrile is a drug-like molecule.
| MolName | (2E,4E)-5-phenylpenta-2,4-dienenitrile |
| MolecularFormula | C11H9N |
| Smiles | N#C/C=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C11H9N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-9H |
| InChIK | JDCCCHBBXRQRGU-UHFFFAOYSA-N |
| TotalMolweight | 155.199 |
| Molweight | 155.199 |
| MonoisotopicMass | 155.073499 |
| CLogP | 2.6524 |
| CLogS | -2.984 |
| H Acceptors | 1 |
| TotalSurfaceArea | 147.97 |
| Relative PSA | 0.09164 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -5.3572 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.83333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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