2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole
Formula:C22H17NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole is not a drug-like molecule.
| MolName | 2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole |
| MolecularFormula | C22H17NOS |
| Smiles | C(c1ccccc1)Oc1c(/C=C/c2nc(cccc3)c3s2)cccc1 |
| InChI | InChI=1S/C22H17NOS/c1-2-8-17(9-3-1)16-24-20-12-6-4-10-18(20)14-15-22-23-19-11-5-7-13-21(19)25-22/h1-15H,16H2 |
| InChIK | YASYSVCBILGCLR-UHFFFAOYSA-N |
| TotalMolweight | 343.449 |
| Molweight | 343.449 |
| MonoisotopicMass | 343.103084 |
| CLogP | 5.2219 |
| CLogS | -5.357 |
| H Acceptors | 2 |
| TotalSurfaceArea | 272.34 |
| Relative PSA | 0.15176 |
| PolarSurfaceArea | 50.36 |
| Druglikeness | 0.5343 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole | 2 - 2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole
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