(4E)-4-[[3-(difluoromethoxy)phenyl]hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one
Formula:C17H14N4O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[[3-(difluoromethoxy)phenyl]hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-4-[[3-(difluoromethoxy)phenyl]hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one |
| MolecularFormula | C17H14N4O2F2 |
| Smiles | C=C(/C(/C1=O)=N\Nc2cccc(OC(F)F)c2)NN1c1ccccc1 |
| InChI | InChI=1S/C17H14F2N4O2/c1-11-15(16(24)23(22-11)13-7-3-2-4-8-13)21-20-12-6-5-9-14(10-12)25-17(18)19/h2-10,17,20,22H,1H2 |
| InChIK | GSGPEWDWCGJXJO-UHFFFAOYSA-N |
| TotalMolweight | 344.32 |
| Molweight | 344.32 |
| MonoisotopicMass | 344.108482 |
| CLogP | 3.3515 |
| CLogS | -3.644 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 251.41 |
| Relative PSA | 0.24271 |
| PolarSurfaceArea | 65.96 |
| Druglikeness | -1.2528 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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