(4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione
Formula:C17H11O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione |
| MolecularFormula | C17H11O4F |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cccc1)c1F)OC1=O)/C1=O |
| InChI | InChI=1S/C17H11FO4/c18-12-9-5-4-8-11(12)16-13(15(20)17(21)22-16)14(19)10-6-2-1-3-7-10/h1-9,16,19H/t16-/m1/s1 |
| InChIK | RCQQRPYOUWLPJW-MRXNPFEDSA-N |
| TotalMolweight | 298.268 |
| Molweight | 298.268 |
| MonoisotopicMass | 298.064138 |
| CLogP | 1.9305 |
| CLogS | -2.96 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 213.14 |
| Relative PSA | 0.23074 |
| PolarSurfaceArea | 63.6 |
| Druglikeness | -9.5515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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