| MolName | 7-[(2-chloro-6-fluorophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one |
| MolecularFormula | C22H14O4ClF |
| Smiles | Oc1cc(OCc(c(F)ccc2)c2Cl)cc(OC(c2ccccc2)=C2)c1C2=O |
| InChI | InChI=1S/C22H14ClFO4/c23-16-7-4-8-17(24)15(16)12-27-14-9-18(25)22-19(26)11-20(28-21(22)10-14)13-5-2-1-3-6-13/h1-11,25H,12H2 |
| InChIK | YTUYDLDLDVQIME-UHFFFAOYSA-N |
| TotalMolweight | 396.8 |
| Molweight | 396.8 |
| MonoisotopicMass | 396.056465 |
| CLogP | 5.082 |
| CLogS | -5.839 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 283.62 |
| Relative PSA | 0.16268 |
| PolarSurfaceArea | 55.76 |
| Druglikeness | -1.1304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 7-[(2-chloro-6-fluorophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one | 2 - 7-[(2-chloro-6-fluorophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one