7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one
Formula:C22H13O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one is not a drug-like molecule.
| MolName | 7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one |
| MolecularFormula | C22H13O4F3 |
| Smiles | Oc(cc1)cc(OC(C(F)(F)F)=C2Oc(cc3)ccc3-c3ccccc3)c1C2=O |
| InChI | InChI=1S/C22H13F3O4/c23-22(24,25)21-20(19(27)17-11-8-15(26)12-18(17)29-21)28-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,26H |
| InChIK | WATAYPGCMGGEBO-UHFFFAOYSA-N |
| TotalMolweight | 398.335 |
| Molweight | 398.335 |
| MonoisotopicMass | 398.076594 |
| CLogP | 5.3216 |
| CLogS | -6.832 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 275.76 |
| Relative PSA | 0.16732 |
| PolarSurfaceArea | 55.76 |
| Druglikeness | -9.4939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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