(2E,4E)-2-cyano-N-cyclopentyl-5-phenylpenta-2,4-dienamide
Formula:C17H18N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,4E)-2-cyano-N-cyclopentyl-5-phenylpenta-2,4-dienamide is a drug-like molecule.
| MolName | (2E,4E)-2-cyano-N-cyclopentyl-5-phenylpenta-2,4-dienamide |
| MolecularFormula | C17H18N2O |
| Smiles | N#C/C(/C(NC1CCCC1)=O)=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C17H18N2O/c18-13-15(17(20)19-16-11-4-5-12-16)10-6-9-14-7-2-1-3-8-14/h1-3,6-10,16H,4-5,11-12H2,(H,19,20) |
| InChIK | DSJVJAKVJUGQDF-UHFFFAOYSA-N |
| TotalMolweight | 266.343 |
| Molweight | 266.343 |
| MonoisotopicMass | 266.141913 |
| CLogP | 3.1499 |
| CLogS | -3.879 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 229.43 |
| Relative PSA | 0.16589 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -3.337 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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