1-oxo-2-phenyl-6-(2,2,2-trifluoroethoxy)-1-benzothiophen-3-amine
Formula:C16H12NO2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
1-oxo-2-phenyl-6-(2,2,2-trifluoroethoxy)-1-benzothiophen-3-amine is a drug-like molecule.
| MolName | 1-oxo-2-phenyl-6-(2,2,2-trifluoroethoxy)-1-benzothiophen-3-amine |
| MolecularFormula | C16H12NO2F3S |
| Smiles | NC(c(cc1)c2cc1OCC(F)(F)F)=C(c1ccccc1)S2=O |
| InChI | InChI=1S/C16H14F3NO2S/c17-16(18,19)9-22-11-6-7-12-13(8-11)23(21)15(14(12)20)10-4-2-1-3-5-10/h1-8H,9,20,23H2 |
| InChIK | TYBGMBUNKLEHFR-UHFFFAOYSA-N |
| TotalMolweight | 339.336 |
| Molweight | 339.336 |
| MonoisotopicMass | 339.054083 |
| CLogP | 2.5664 |
| CLogS | -2.536 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 226.9 |
| Relative PSA | 0.2115 |
| PolarSurfaceArea | 71.53 |
| Druglikeness | -7.3738 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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1 - 1-oxo-2-phenyl-6-(2,2,2-trifluoroethoxy)-1-benzothiophen-3-amine | 2 - 1-oxo-2-phenyl-6-(2,2,2-trifluoroethoxy)-1-benzothiophen-3-amine
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