(4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C17H12NO3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C17H12NO3F |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cccc1)c1F)NC1=O)/C1=O |
| InChI | InChI=1S/C17H12FNO3/c18-12-9-5-4-8-11(12)14-13(16(21)17(22)19-14)15(20)10-6-2-1-3-7-10/h1-9,14,20H,(H,19,22)/t14-/m1/s1 |
| InChIK | NLZMWWKQHFLXAM-CQSZACIVSA-N |
| TotalMolweight | 297.284 |
| Molweight | 297.284 |
| MonoisotopicMass | 297.080122 |
| CLogP | 1.787 |
| CLogS | -2.824 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 214.6 |
| Relative PSA | 0.23597 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | -1.6074 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| 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 | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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