7-hydroxy-4-[3-(trifluoromethyl)phenyl]chromen-2-one
Formula:C16H9O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7-hydroxy-4-[3-(trifluoromethyl)phenyl]chromen-2-one is a drug-like molecule.
| MolName | 7-hydroxy-4-[3-(trifluoromethyl)phenyl]chromen-2-one |
| MolecularFormula | C16H9O3F3 |
| Smiles | Oc(cc1)cc(O2)c1C(c1cccc(C(F)(F)F)c1)=CC2=O |
| InChI | InChI=1S/C16H9F3O3/c17-16(18,19)10-3-1-2-9(6-10)13-8-15(21)22-14-7-11(20)4-5-12(13)14/h1-8,20H |
| InChIK | VWKFVRVGEBQAQP-UHFFFAOYSA-N |
| TotalMolweight | 306.238 |
| Molweight | 306.238 |
| MonoisotopicMass | 306.050379 |
| CLogP | 3.4981 |
| CLogS | -4.057 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 207.79 |
| Relative PSA | 0.17393 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -9.8633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| 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 | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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