(2E,3Z)-3-hydrazinylidene-2-(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one
Formula:C13H12N4OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(2E,3Z)-3-hydrazinylidene-2-(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one is a drug-like molecule.
| MolName | (2E,3Z)-3-hydrazinylidene-2-(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one |
| MolecularFormula | C13H12N4OS |
| Smiles | N/N=C\C(\C(c1cccs1)=O)=N/Nc1ccccc1 |
| InChI | InChI=1S/C13H12N4OS/c14-15-9-11(13(18)12-7-4-8-19-12)17-16-10-5-2-1-3-6-10/h1-9,16H,14H2 |
| InChIK | URLHBVZOVZMEJW-UHFFFAOYSA-N |
| TotalMolweight | 272.331 |
| Molweight | 272.331 |
| MonoisotopicMass | 272.073181 |
| CLogP | 2.8817 |
| CLogS | -3.602 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 214.42 |
| Relative PSA | 0.38779 |
| PolarSurfaceArea | 108.08 |
| Druglikeness | 3.108 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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