(1S,3S,6S,7S,9S)-5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
Formula:C16H14NO3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,3S,6S,7S,9S)-5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is a drug-like molecule.
| MolName | (1S,3S,6S,7S,9S)-5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide |
| MolecularFormula | C16H14NO3F3 |
| Smiles | O=C([C@@H]([C@@H](C[C@@H]12)C[C@@H]2O2)[C@H]1C2=O)Nc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C16H14F3NO3/c17-16(18,19)8-2-1-3-9(6-8)20-14(21)12-7-4-10-11(5-7)23-15(22)13(10)12/h1-3,6-7,10-13H,4-5H2,(H,20,21)/t7-,10-,11-,12-,13-/m0/s1 |
| InChIK | GZIYDTRUFINXAO-CYYHPJSISA-N |
| TotalMolweight | 325.285 |
| Molweight | 325.285 |
| MonoisotopicMass | 325.092578 |
| CLogP | 2.0297 |
| CLogS | -3.915 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 209.2 |
| Relative PSA | 0.22725 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | -4.5447 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1S,3S,6S,7S,9S)-5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide | 2 - (1S,3S,6S,7S,9S)-5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
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