N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(4,5-dichloroimidazol-1-yl)acetamide
Formula:C12H8N4OCl3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(4,5-dichloroimidazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(4,5-dichloroimidazol-1-yl)acetamide |
| MolecularFormula | C12H8N4OCl3F |
| Smiles | O=C(Cn(cn1)c(Cl)c1Cl)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C12H8Cl3FN4O/c13-8-2-1-3-9(16)7(8)4-18-19-10(21)5-20-6-17-11(14)12(20)15/h1-4,6H,5H2,(H,19,21) |
| InChIK | JSLLWIQBOAPSJL-UHFFFAOYSA-N |
| TotalMolweight | 349.58 |
| Molweight | 349.58 |
| MonoisotopicMass | 347.97477 |
| CLogP | 3.1028 |
| CLogS | -3.714 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 241.32 |
| Relative PSA | 0.22315 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 5.0986 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(4,5-dichloroimidazol-1-yl)acetamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(4,5-dichloroimidazol-1-yl)acetamide
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