7-[2-(4-fluorophenyl)-2-oxoethoxy]-5-hydroxy-2-phenylchromen-4-one
Formula:C23H15O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-[2-(4-fluorophenyl)-2-oxoethoxy]-5-hydroxy-2-phenylchromen-4-one is a drug-like molecule.
| MolName | 7-[2-(4-fluorophenyl)-2-oxoethoxy]-5-hydroxy-2-phenylchromen-4-one |
| MolecularFormula | C23H15O5F |
| Smiles | Oc1cc(OCC(c(cc2)ccc2F)=O)cc(OC(c2ccccc2)=C2)c1C2=O |
| InChI | InChI=1S/C23H15FO5/c24-16-8-6-14(7-9-16)20(27)13-28-17-10-18(25)23-19(26)12-21(29-22(23)11-17)15-4-2-1-3-5-15/h1-12,25H,13H2 |
| InChIK | NKTZYZIGUIPBOE-UHFFFAOYSA-N |
| TotalMolweight | 390.365 |
| Molweight | 390.365 |
| MonoisotopicMass | 390.090353 |
| CLogP | 4.0178 |
| CLogS | -5.396 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.95 |
| Relative PSA | 0.20696 |
| PolarSurfaceArea | 72.83 |
| Druglikeness | -0.36816 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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