N-[2-oxo-2-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide
Formula:C16H10N3O2F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-oxo-2-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide |
| MolecularFormula | C16H10N3O2F5 |
| Smiles | O=C(CNC(c1ccccc1)=O)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C16H10F5N3O2/c17-11-9(12(18)14(20)15(21)13(11)19)6-23-24-10(25)7-22-16(26)8-4-2-1-3-5-8/h1-6H,7H2,(H,22,26)(H,24,25) |
| InChIK | DSRSKKHFSAEQJG-UHFFFAOYSA-N |
| TotalMolweight | 371.264 |
| Molweight | 371.264 |
| MonoisotopicMass | 371.069317 |
| CLogP | 2.7893 |
| CLogS | -5.058 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 261.71 |
| Relative PSA | 0.23121 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.9887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-oxo-2-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide | 2 - N-[2-oxo-2-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide
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