2-[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide
Formula:C16H13N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide |
| MolecularFormula | C16H13N3O3 |
| Smiles | NC(CN(C1=O)C(c2ccccc2)=N/C1=C/c1ccco1)=O |
| InChI | InChI=1S/C16H13N3O3/c17-14(20)10-19-15(11-5-2-1-3-6-11)18-13(16(19)21)9-12-7-4-8-22-12/h1-9H,10H2,(H2,17,20) |
| InChIK | YQBWXRWACPTWAA-UHFFFAOYSA-N |
| TotalMolweight | 295.297 |
| Molweight | 295.297 |
| MonoisotopicMass | 295.095692 |
| CLogP | 0.6221 |
| CLogS | -2.954 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 224.97 |
| Relative PSA | 0.31346 |
| PolarSurfaceArea | 88.9 |
| Druglikeness | 5.0931 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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