3-(2-chloro-6-fluorophenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Formula:C16H7O4ClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2-chloro-6-fluorophenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one is a drug-like molecule.
| MolName | 3-(2-chloro-6-fluorophenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one |
| MolecularFormula | C16H7O4ClF4 |
| Smiles | Oc(cc1)cc(OC(C(F)(F)F)=C2Oc(c(F)ccc3)c3Cl)c1C2=O |
| InChI | InChI=1S/C16H7ClF4O4/c17-9-2-1-3-10(18)13(9)25-14-12(23)8-5-4-7(22)6-11(8)24-15(14)16(19,20)21/h1-6,22H |
| InChIK | SEXCRSXNRKTHQP-UHFFFAOYSA-N |
| TotalMolweight | 374.673 |
| Molweight | 374.673 |
| MonoisotopicMass | 373.996899 |
| CLogP | 4.3692 |
| CLogS | -5.796 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.77 |
| Relative PSA | 0.19405 |
| PolarSurfaceArea | 55.76 |
| Druglikeness | -9.387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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