| MolName | N-(4-fluorophenyl)-7-hydroxy-2-oxochromene-3-carboxamide |
| MolecularFormula | C16H10NO4F |
| Smiles | Oc(cc1)cc(O2)c1C=C(C(Nc(cc1)ccc1F)=O)C2=O |
| InChI | InChI=1S/C16H10FNO4/c17-10-2-4-11(5-3-10)18-15(20)13-7-9-1-6-12(19)8-14(9)22-16(13)21/h1-8,19H,(H,18,20) |
| InChIK | PVZAOUZICKJXBV-UHFFFAOYSA-N |
| TotalMolweight | 299.256 |
| Molweight | 299.256 |
| MonoisotopicMass | 299.059387 |
| CLogP | 2.0788 |
| CLogS | -3.486 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 213.89 |
| Relative PSA | 0.28351 |
| PolarSurfaceArea | 75.63 |
| Druglikeness | -1.2366 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(4-fluorophenyl)-7-hydroxy-2-oxochromene-3-carboxamide | 2 - N-(4-fluorophenyl)-7-hydroxy-2-oxochromene-3-carboxamide