(4E)-4-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one
Formula:C17H12N4OClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-4-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one |
| MolecularFormula | C17H12N4OClF3 |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc(C(F)(F)F)cc2)c2Cl)NN1c1ccccc1 |
| InChI | InChI=1S/C17H12ClF3N4O/c1-10-15(16(26)25(24-10)12-5-3-2-4-6-12)23-22-14-9-11(17(19,20)21)7-8-13(14)18/h2-9,22,24H,1H2 |
| InChIK | VLVQCKSZJLDMBI-UHFFFAOYSA-N |
| TotalMolweight | 380.756 |
| Molweight | 380.756 |
| MonoisotopicMass | 380.065172 |
| CLogP | 4.6364 |
| CLogS | -4.536 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 261.09 |
| Relative PSA | 0.19541 |
| PolarSurfaceArea | 56.73 |
| Druglikeness | -5.5261 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (4E)-4-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one | 2 - (4E)-4-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one
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