(3E)-3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one
Formula:C11H11N3OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(3E)-3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one is a drug-like molecule.
| MolName | (3E)-3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one |
| MolecularFormula | C11H11N3OF2 |
| Smiles | O=C1NCCC/C1=N\Nc(cc(cc1)F)c1F |
| InChI | InChI=1S/C11H11F2N3O/c12-7-3-4-8(13)10(6-7)16-15-9-2-1-5-14-11(9)17/h3-4,6,16H,1-2,5H2,(H,14,17) |
| InChIK | DBVISXPHDJBDID-UHFFFAOYSA-N |
| TotalMolweight | 239.224 |
| Molweight | 239.224 |
| MonoisotopicMass | 239.087018 |
| CLogP | 2.9195 |
| CLogS | -2.596 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 177.38 |
| Relative PSA | 0.26762 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 1.2459 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (3E)-3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one | 2 - (3E)-3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one
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