(E)-4,4,5,5,5-pentafluoro-1-(pyridin-3-ylmethylamino)pent-1-en-3-one
Formula:C11H9N2OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,4,5,5,5-pentafluoro-1-(pyridin-3-ylmethylamino)pent-1-en-3-one is a drug-like molecule.
| MolName | (E)-4,4,5,5,5-pentafluoro-1-(pyridin-3-ylmethylamino)pent-1-en-3-one |
| MolecularFormula | C11H9N2OF5 |
| Smiles | O=C(C(C(F)(F)F)(F)F)/C=C/NCc1cnccc1 |
| InChI | InChI=1S/C11H9F5N2O/c12-10(13,11(14,15)16)9(19)3-5-18-7-8-2-1-4-17-6-8/h1-6,18H,7H2 |
| InChIK | GLLRGLUPTUWXOM-UHFFFAOYSA-N |
| TotalMolweight | 280.195 |
| Molweight | 280.195 |
| MonoisotopicMass | 280.063503 |
| CLogP | 1.2241 |
| CLogS | -2.871 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 194.06 |
| Relative PSA | 0.18278 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -64.234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-4,4,5,5,5-pentafluoro-1-(pyridin-3-ylmethylamino)pent-1-en-3-one | 2 - (E)-4,4,5,5,5-pentafluoro-1-(pyridin-3-ylmethylamino)pent-1-en-3-one
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