2-[(E)-2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole
Formula:C19H11NCl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole is not a drug-like molecule.
| MolName | 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole |
| MolecularFormula | C19H11NCl2S |
| Smiles | Clc1cccc(Cl)c1/C=C/c1nc(c2ccccc2cc2)c2s1 |
| InChI | InChI=1S/C19H11Cl2NS/c20-15-6-3-7-16(21)14(15)9-11-18-22-19-13-5-2-1-4-12(13)8-10-17(19)23-18/h1-11H |
| InChIK | GGTUAJCPYGDCAM-UHFFFAOYSA-N |
| TotalMolweight | 356.275 |
| Molweight | 356.275 |
| MonoisotopicMass | 354.998923 |
| CLogP | 6.2802 |
| CLogS | -7.094 |
| H Acceptors | 1 |
| TotalSurfaceArea | 254.26 |
| Relative PSA | 0.12322 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | 0.91879 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole | 2 - 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole
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