(2E,4E)-N-benzyl-2-cyano-5-phenylpenta-2,4-dienamide
Formula:C19H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,4E)-N-benzyl-2-cyano-5-phenylpenta-2,4-dienamide is a drug-like molecule.
| MolName | (2E,4E)-N-benzyl-2-cyano-5-phenylpenta-2,4-dienamide |
| MolecularFormula | C19H16N2O |
| Smiles | N#C/C(/C(NCc1ccccc1)=O)=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C19H16N2O/c20-14-18(13-7-12-16-8-3-1-4-9-16)19(22)21-15-17-10-5-2-6-11-17/h1-13H,15H2,(H,21,22) |
| InChIK | RUZVBNIIMZBGQA-UHFFFAOYSA-N |
| TotalMolweight | 288.349 |
| Molweight | 288.349 |
| MonoisotopicMass | 288.126263 |
| CLogP | 3.3543 |
| CLogS | -3.898 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 248.91 |
| Relative PSA | 0.15291 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -1.1202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (2E,4E)-N-benzyl-2-cyano-5-phenylpenta-2,4-dienamide | 2 - (2E,4E)-N-benzyl-2-cyano-5-phenylpenta-2,4-dienamide
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