3-(4-chlorophenyl)-7,8-dihydroxy-2-(trifluoromethyl)chromen-4-one
Formula:C16H8O4ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-(4-chlorophenyl)-7,8-dihydroxy-2-(trifluoromethyl)chromen-4-one is a drug-like molecule.
| MolName | 3-(4-chlorophenyl)-7,8-dihydroxy-2-(trifluoromethyl)chromen-4-one |
| MolecularFormula | C16H8O4ClF3 |
| Smiles | Oc(ccc1c2OC(C(F)(F)F)=C(c(cc3)ccc3Cl)C1=O)c2O |
| InChI | InChI=1S/C16H8ClF3O4/c17-8-3-1-7(2-4-8)11-12(22)9-5-6-10(21)13(23)14(9)24-15(11)16(18,19)20/h1-6,21,23H |
| InChIK | UIYMWPJZXGOSCE-UHFFFAOYSA-N |
| TotalMolweight | 356.683 |
| Molweight | 356.683 |
| MonoisotopicMass | 356.006321 |
| CLogP | 3.7323 |
| CLogS | -4.755 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 227.77 |
| Relative PSA | 0.21618 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | -8.9741 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - 3-(4-chlorophenyl)-7,8-dihydroxy-2-(trifluoromethyl)chromen-4-one | 2 - 3-(4-chlorophenyl)-7,8-dihydroxy-2-(trifluoromethyl)chromen-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off