2-[(4E)-4-[(4-fluorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide
Formula:C18H14N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4E)-4-[(4-fluorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[(4E)-4-[(4-fluorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide |
| MolecularFormula | C18H14N3O2F |
| Smiles | NC(CN(C1=O)C(c2ccccc2)=N/C1=C/c(cc1)ccc1F)=O |
| InChI | InChI=1S/C18H14FN3O2/c19-14-8-6-12(7-9-14)10-15-18(24)22(11-16(20)23)17(21-15)13-4-2-1-3-5-13/h1-10H,11H2,(H2,20,23) |
| InChIK | VXWTZMWKFHPDDG-UHFFFAOYSA-N |
| TotalMolweight | 323.326 |
| Molweight | 323.326 |
| MonoisotopicMass | 323.107005 |
| CLogP | 1.5342 |
| CLogS | -3.586 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 241.63 |
| Relative PSA | 0.23346 |
| PolarSurfaceArea | 75.76 |
| Druglikeness | 4.0193 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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