| MolName | 2-[4-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C19H15N2O5F |
| Smiles | OC(COc1ccc(/C=C(\C(N2Cc(cccc3)c3F)=O)/NC2=O)cc1)=O |
| InChI | InChI=1S/C19H15FN2O5/c20-15-4-2-1-3-13(15)10-22-18(25)16(21-19(22)26)9-12-5-7-14(8-6-12)27-11-17(23)24/h1-9H,10-11H2,(H,21,26)(H,23,24) |
| InChIK | IYMJPLUWTWZKMO-UHFFFAOYSA-N |
| TotalMolweight | 370.335 |
| Molweight | 370.335 |
| MonoisotopicMass | 370.096501 |
| CLogP | 1.7001 |
| CLogS | -3.804 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 269.46 |
| Relative PSA | 0.28661 |
| PolarSurfaceArea | 95.94 |
| Druglikeness | 3.6396 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid