2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,3-benzothiazole
Formula:C15H9NCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,3-benzothiazole is not a drug-like molecule.
| MolName | 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,3-benzothiazole |
| MolecularFormula | C15H9NCl2S |
| Smiles | Clc(ccc(/C=C/c1nc(cccc2)c2s1)c1)c1Cl |
| InChI | InChI=1S/C15H9Cl2NS/c16-11-7-5-10(9-12(11)17)6-8-15-18-13-3-1-2-4-14(13)19-15/h1-9H |
| InChIK | XCPIFYWAYGORLC-UHFFFAOYSA-N |
| TotalMolweight | 306.215 |
| Molweight | 306.215 |
| MonoisotopicMass | 304.983273 |
| CLogP | 5.0858 |
| CLogS | -5.488 |
| H Acceptors | 1 |
| TotalSurfaceArea | 219.66 |
| Relative PSA | 0.14263 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | 0.91879 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,3-benzothiazole | 2 - 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,3-benzothiazole
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