N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4,5-dichloroimidazol-1-yl)acetamide
Formula:C12H9N4OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4,5-dichloroimidazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4,5-dichloroimidazol-1-yl)acetamide |
| MolecularFormula | C12H9N4OCl3 |
| Smiles | O=C(Cn(cn1)c(Cl)c1Cl)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C12H9Cl3N4O/c13-9-4-2-1-3-8(9)5-17-18-10(20)6-19-7-16-11(14)12(19)15/h1-5,7H,6H2,(H,18,20) |
| InChIK | KMKUXCLANHFXIY-UHFFFAOYSA-N |
| TotalMolweight | 331.589 |
| Molweight | 331.589 |
| MonoisotopicMass | 329.984192 |
| CLogP | 3.002 |
| CLogS | -3.4 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.97 |
| Relative PSA | 0.22918 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.4386 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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