4-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate
Formula:C18H12N2O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate |
| MolecularFormula | C18H12N2O4F |
| Smiles | [O-]C(c1ccc(/C=C(/C(N2Cc(cc3)ccc3F)=O)\NC2=O)cc1)=O |
| InChI | InChI=1S/C18H13FN2O4/c19-14-7-3-12(4-8-14)10-21-16(22)15(20-18(21)25)9-11-1-5-13(6-2-11)17(23)24/h1-9H,10H2,(H,20,25)(H,23,24)/p-1 |
| InChIK | PGFXDLIQMXNYEV-UHFFFAOYSA-M |
| TotalMolweight | 339.301 |
| Molweight | 339.301 |
| MonoisotopicMass | 339.078111 |
| CLogP | 0.0492 |
| CLogS | -4.024 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 246.88 |
| Relative PSA | 0.2771 |
| PolarSurfaceArea | 89.54 |
| Druglikeness | 3.6109 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate | 2 - 4-[(Z)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate
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