(1S,3S,6S,7S,9S)-N-(4-chlorophenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
Formula:C15H14NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,3S,6S,7S,9S)-N-(4-chlorophenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is a drug-like molecule.
| MolName | (1S,3S,6S,7S,9S)-N-(4-chlorophenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide |
| MolecularFormula | C15H14NO3Cl |
| Smiles | O=C([C@@H]([C@@H](C[C@@H]12)C[C@@H]2O2)[C@H]1C2=O)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C15H14ClNO3/c16-8-1-3-9(4-2-8)17-14(18)12-7-5-10-11(6-7)20-15(19)13(10)12/h1-4,7,10-13H,5-6H2,(H,17,18)/t7-,10-,11-,12-,13-/m0/s1 |
| InChIK | KUXWSBMWFVMCNR-CYYHPJSISA-N |
| TotalMolweight | 291.733 |
| Molweight | 291.733 |
| MonoisotopicMass | 291.066221 |
| CLogP | 1.7874 |
| CLogS | -3.873 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 195.16 |
| Relative PSA | 0.2436 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | 2.7156 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1S,3S,6S,7S,9S)-N-(4-chlorophenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide | 2 - (1S,3S,6S,7S,9S)-N-(4-chlorophenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
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