2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole
Formula:C16H10NF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole is a drug-like molecule.
| MolName | 2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole |
| MolecularFormula | C16H10NF3S |
| Smiles | FC(c1cccc(/C=C/c2nc(cccc3)c3s2)c1)(F)F |
| InChI | InChI=1S/C16H10F3NS/c17-16(18,19)12-5-3-4-11(10-12)8-9-15-20-13-6-1-2-7-14(13)21-15/h1-10H |
| InChIK | QMIFGWDMXSGHFP-UHFFFAOYSA-N |
| TotalMolweight | 305.322 |
| Molweight | 305.322 |
| MonoisotopicMass | 305.048603 |
| CLogP | 4.7221 |
| CLogS | -4.794 |
| H Acceptors | 1 |
| TotalSurfaceArea | 218.28 |
| Relative PSA | 0.14353 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | -6.3348 |
| 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 | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole | 2 - 2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole
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