(2Z)-6-phenacyloxy-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one
Formula:C22H15NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-6-phenacyloxy-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one is a drug-like molecule.
| MolName | (2Z)-6-phenacyloxy-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one |
| MolecularFormula | C22H15NO4 |
| Smiles | O=C(COc(cc1)cc(O/C2=C\c3cnccc3)c1C2=O)c1ccccc1 |
| InChI | InChI=1S/C22H15NO4/c24-19(16-6-2-1-3-7-16)14-26-17-8-9-18-20(12-17)27-21(22(18)25)11-15-5-4-10-23-13-15/h1-13H,14H2 |
| InChIK | XOQMQYMBTWRKAQ-UHFFFAOYSA-N |
| TotalMolweight | 357.364 |
| Molweight | 357.364 |
| MonoisotopicMass | 357.100109 |
| CLogP | 3.2076 |
| CLogS | -4.981 |
| H Acceptors | 5 |
| TotalSurfaceArea | 272.01 |
| Relative PSA | 0.20973 |
| PolarSurfaceArea | 65.49 |
| Druglikeness | 0.9004 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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