5-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylchromen-4-one
Formula:C22H11O4F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylchromen-4-one is a drug-like molecule.
| MolName | 5-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylchromen-4-one |
| MolecularFormula | C22H11O4F5 |
| Smiles | Oc1cc(OCc(c(F)c(c(F)c2F)F)c2F)cc(OC(c2ccccc2)=C2)c1C2=O |
| InChI | InChI=1S/C22H11F5O4/c23-18-12(19(24)21(26)22(27)20(18)25)9-30-11-6-13(28)17-14(29)8-15(31-16(17)7-11)10-4-2-1-3-5-10/h1-8,28H,9H2 |
| InChIK | KJYUWGPWGWIMRX-UHFFFAOYSA-N |
| TotalMolweight | 434.315 |
| Molweight | 434.315 |
| MonoisotopicMass | 434.05775 |
| CLogP | 4.8792 |
| CLogS | -6.359 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 293.6 |
| Relative PSA | 0.15715 |
| PolarSurfaceArea | 55.76 |
| Druglikeness | -1.2335 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - 5-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylchromen-4-one | 2 - 5-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylchromen-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off