2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-1,3-benzothiazole
Formula:C16H11NOF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-1,3-benzothiazole is a drug-like molecule.
| MolName | 2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-1,3-benzothiazole |
| MolecularFormula | C16H11NOF2S |
| Smiles | FC(Oc1c(/C=C/c2nc(cccc3)c3s2)cccc1)F |
| InChI | InChI=1S/C16H11F2NOS/c17-16(18)20-13-7-3-1-5-11(13)9-10-15-19-12-6-2-4-8-14(12)21-15/h1-10,16H |
| InChIK | OLDVCZLTOAFYCE-UHFFFAOYSA-N |
| TotalMolweight | 303.331 |
| Molweight | 303.331 |
| MonoisotopicMass | 303.05294 |
| CLogP | 4.0432 |
| CLogS | -4.638 |
| H Acceptors | 2 |
| TotalSurfaceArea | 224.02 |
| Relative PSA | 0.18449 |
| PolarSurfaceArea | 50.36 |
| Druglikeness | -1.9283 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-1,3-benzothiazole | 2 - 2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-1,3-benzothiazole
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