4-[(E)-2-phenylethenyl]-1,3-benzothiazole
Formula:C15H11NS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-phenylethenyl]-1,3-benzothiazole is a drug-like molecule.
| MolName | 4-[(E)-2-phenylethenyl]-1,3-benzothiazole |
| MolecularFormula | C15H11NS |
| Smiles | C(c1ccccc1)=C/c1cccc2c1ncs2 |
| InChI | InChI=1S/C15H11NS/c1-2-5-12(6-3-1)9-10-13-7-4-8-14-15(13)16-11-17-14/h1-11H |
| InChIK | SJXQEJJZJDXWEU-UHFFFAOYSA-N |
| TotalMolweight | 237.325 |
| Molweight | 237.325 |
| MonoisotopicMass | 237.061219 |
| CLogP | 3.821 |
| CLogS | -3.979 |
| H Acceptors | 1 |
| TotalSurfaceArea | 188.82 |
| Relative PSA | 0.16593 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | -0.26273 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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