(3E)-3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one
Formula:C13H11N3OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(3E)-3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one is a drug-like molecule.
| MolName | (3E)-3-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one |
| MolecularFormula | C13H11N3OF6 |
| Smiles | O=C1NCCC/C1=N\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C13H11F6N3O/c14-12(15,16)7-4-8(13(17,18)19)6-9(5-7)21-22-10-2-1-3-20-11(10)23/h4-6,21H,1-3H2,(H,20,23) |
| InChIK | LIVJFDYSFLGYEI-UHFFFAOYSA-N |
| TotalMolweight | 339.238 |
| Molweight | 339.238 |
| MonoisotopicMass | 339.08063 |
| CLogP | 4.4145 |
| CLogS | -3.524 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 223.6 |
| Relative PSA | 0.2123 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -4.6041 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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