(E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)but-3-en-2-one
Formula:C9H8NO2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)but-3-en-2-one is a drug-like molecule.
| MolName | (E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)but-3-en-2-one |
| MolecularFormula | C9H8NO2F3 |
| Smiles | O=C(C(F)(F)F)/C=C/NCc1ccco1 |
| InChI | InChI=1S/C9H8F3NO2/c10-9(11,12)8(14)3-4-13-6-7-2-1-5-15-7/h1-5,13H,6H2 |
| InChIK | XWOHWPQMGNIJMH-UHFFFAOYSA-N |
| TotalMolweight | 219.162 |
| Molweight | 219.162 |
| MonoisotopicMass | 219.050713 |
| CLogP | 0.7047 |
| CLogS | -2.63 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 161.88 |
| Relative PSA | 0.23851 |
| PolarSurfaceArea | 42.24 |
| Druglikeness | -32.104 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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