1-[(E)-2-phenylethenyl]benzo[e][1]benzothiole
Formula:C20H14S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(E)-2-phenylethenyl]benzo[e][1]benzothiole is not a drug-like molecule.
| MolName | 1-[(E)-2-phenylethenyl]benzo[e][1]benzothiole |
| MolecularFormula | C20H14S |
| Smiles | C(c1csc2c1c1ccccc1cc2)=C/c1ccccc1 |
| InChI | InChI=1S/C20H14S/c1-2-6-15(7-3-1)10-11-17-14-21-19-13-12-16-8-4-5-9-18(16)20(17)19/h1-14H |
| InChIK | WWLBCPLILWNZAZ-UHFFFAOYSA-N |
| TotalMolweight | 286.397 |
| Molweight | 286.397 |
| MonoisotopicMass | 286.08162 |
| CLogP | 5.9 |
| CLogS | -6.597 |
| TotalSurfaceArea | 224.66 |
| Relative PSA | 0.090626 |
| PolarSurfaceArea | 28.24 |
| Druglikeness | -0.44565 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 2 |
| StereoCon |
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