(7E)-7-benzylidene-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-2,1-benzoxazol-3-ol
Formula:C15H14NO2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7E)-7-benzylidene-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-2,1-benzoxazol-3-ol is a drug-like molecule.
| MolName | (7E)-7-benzylidene-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-2,1-benzoxazol-3-ol |
| MolecularFormula | C15H14NO2F3 |
| Smiles | OC(C1CCC2)(C(F)(F)F)ON=C1/C2=C/c1ccccc1 |
| InChI | InChI=1S/C15H14F3NO2/c16-15(17,18)14(20)12-8-4-7-11(13(12)19-21-14)9-10-5-2-1-3-6-10/h1-3,5-6,9,12,20H,4,7-8H2 |
| InChIK | RHOOTQAOZKPADG-UHFFFAOYSA-N |
| TotalMolweight | 297.275 |
| Molweight | 297.275 |
| MonoisotopicMass | 297.097663 |
| CLogP | 4.1921 |
| CLogS | -4.382 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 203.94 |
| Relative PSA | 0.16971 |
| PolarSurfaceArea | 41.82 |
| Druglikeness | -13.754 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (7E)-7-benzylidene-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-2,1-benzoxazol-3-ol | 2 - (7E)-7-benzylidene-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-2,1-benzoxazol-3-ol
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