| MolName | (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C14H9N2O3Cl |
| Smiles | O=C(/C(/N1)=C\c2ccc(-c(cccc3)c3Cl)o2)NC1=O |
| InChI | InChI=1S/C14H9ClN2O3/c15-10-4-2-1-3-9(10)12-6-5-8(20-12)7-11-13(18)17-14(19)16-11/h1-7H,(H2,16,17,18,19) |
| InChIK | MEVRZNJTQNZDNK-UHFFFAOYSA-N |
| TotalMolweight | 288.689 |
| Molweight | 288.689 |
| MonoisotopicMass | 288.03017 |
| CLogP | 2.4132 |
| CLogS | -4.932 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 207.76 |
| Relative PSA | 0.30376 |
| PolarSurfaceArea | 71.34 |
| Druglikeness | 4.1512 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione