3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
Formula:C12H10NO2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is a drug-like molecule.
| MolName | 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol |
| MolecularFormula | C12H10NO2F3 |
| Smiles | OC(C1)(C(F)(F)F)ON=C1/C=C/c1ccccc1 |
| InChI | InChI=1S/C12H10F3NO2/c13-12(14,15)11(17)8-10(16-18-11)7-6-9-4-2-1-3-5-9/h1-7,17H,8H2/t11-/m0/s1 |
| InChIK | NNGURARYUDHTQH-NSHDSACASA-N |
| TotalMolweight | 257.21 |
| Molweight | 257.21 |
| MonoisotopicMass | 257.066363 |
| CLogP | 3.5578 |
| CLogS | -3.742 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 179.21 |
| Relative PSA | 0.19313 |
| PolarSurfaceArea | 41.82 |
| Druglikeness | -11.235 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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1 - 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol | 2 - 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
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