(4E)-3-methylidene-5-oxo-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]pyrazolidine-1-carbothioamide
Formula:C12H10N5OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-3-methylidene-5-oxo-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]pyrazolidine-1-carbothioamide is a drug-like molecule.
| MolName | (4E)-3-methylidene-5-oxo-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]pyrazolidine-1-carbothioamide |
| MolecularFormula | C12H10N5OF3S |
| Smiles | C=C(/C1=N\Nc2cc(C(F)(F)F)ccc2)NN(C(N)=S)C1=O |
| InChI | InChI=1S/C12H10F3N5OS/c1-6-9(10(21)20(19-6)11(16)22)18-17-8-4-2-3-7(5-8)12(13,14)15/h2-5,17,19H,1H2,(H2,16,22) |
| InChIK | RAXTVVQQAUIUEP-UHFFFAOYSA-N |
| TotalMolweight | 329.305 |
| Molweight | 329.305 |
| MonoisotopicMass | 329.055814 |
| CLogP | 1.911 |
| CLogS | -3.214 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 227.14 |
| Relative PSA | 0.41512 |
| PolarSurfaceArea | 114.84 |
| Druglikeness | -5.6789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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