7,8-dihydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
Formula:C16H9O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
7,8-dihydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one is a drug-like molecule.
| MolName | 7,8-dihydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one |
| MolecularFormula | C16H9O4F3 |
| Smiles | Oc(c(O)c1OC(C(F)(F)F)=C2c3ccccc3)ccc1C2=O |
| InChI | InChI=1S/C16H9F3O4/c17-16(18,19)15-11(8-4-2-1-3-5-8)12(21)9-6-7-10(20)13(22)14(9)23-15/h1-7,20,22H |
| InChIK | JPQOLHQTJRIHOU-UHFFFAOYSA-N |
| TotalMolweight | 322.237 |
| Molweight | 322.237 |
| MonoisotopicMass | 322.045294 |
| CLogP | 3.1263 |
| CLogS | -4.019 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 212.35 |
| Relative PSA | 0.23188 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | -9.0712 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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