2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4-thiophen-2-yl-1,3-thiazole
Formula:C15H9NCl2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4-thiophen-2-yl-1,3-thiazole is not a drug-like molecule.
| MolName | 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4-thiophen-2-yl-1,3-thiazole |
| MolecularFormula | C15H9NCl2S2 |
| Smiles | Clc(ccc(/C=C/c1nc(-c2cccs2)cs1)c1)c1Cl |
| InChI | InChI=1S/C15H9Cl2NS2/c16-11-5-3-10(8-12(11)17)4-6-15-18-13(9-20-15)14-2-1-7-19-14/h1-9H |
| InChIK | JELYFWPMBABKEH-UHFFFAOYSA-N |
| TotalMolweight | 338.281 |
| Molweight | 338.281 |
| MonoisotopicMass | 336.955343 |
| CLogP | 5.6824 |
| CLogS | -5.953 |
| H Acceptors | 1 |
| TotalSurfaceArea | 240.76 |
| Relative PSA | 0.2147 |
| PolarSurfaceArea | 69.37 |
| Druglikeness | 3.5425 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4-thiophen-2-yl-1,3-thiazole | 2 - 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4-thiophen-2-yl-1,3-thiazole
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