(4E)-5-methylidene-2-phenyl-4-(1,3-thiazol-2-ylhydrazinylidene)pyrazolidin-3-one
Formula:C13H11N5OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4E)-5-methylidene-2-phenyl-4-(1,3-thiazol-2-ylhydrazinylidene)pyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-5-methylidene-2-phenyl-4-(1,3-thiazol-2-ylhydrazinylidene)pyrazolidin-3-one |
| MolecularFormula | C13H11N5OS |
| Smiles | C=C(/C(/C1=O)=N\Nc2nccs2)NN1c1ccccc1 |
| InChI | InChI=1S/C13H11N5OS/c1-9-11(15-16-13-14-7-8-20-13)12(19)18(17-9)10-5-3-2-4-6-10/h2-8,17H,1H2,(H,14,16) |
| InChIK | WWNFISWFLGVXLW-UHFFFAOYSA-N |
| TotalMolweight | 285.33 |
| Molweight | 285.33 |
| MonoisotopicMass | 285.06843 |
| CLogP | 2.8074 |
| CLogS | -2.755 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 210.91 |
| Relative PSA | 0.39045 |
| PolarSurfaceArea | 97.86 |
| Druglikeness | 2.2777 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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