N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C13H9N4OClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C13H9N4OClF4 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C13H9ClF4N4O/c14-9-2-1-3-10(15)8(9)6-19-20-12(23)7-22-5-4-11(21-22)13(16,17)18/h1-6H,7H2,(H,20,23) |
| InChIK | VKLCLYOARQATFS-UHFFFAOYSA-N |
| TotalMolweight | 348.686 |
| Molweight | 348.686 |
| MonoisotopicMass | 348.0401 |
| CLogP | 2.3676 |
| CLogS | -3.807 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 239.94 |
| Relative PSA | 0.22443 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | -5.3924 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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