N-[3-oxo-3-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propyl]benzamide
Formula:C17H12N3O2F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3-oxo-3-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propyl]benzamide is a drug-like molecule.
| MolName | N-[3-oxo-3-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propyl]benzamide |
| MolecularFormula | C17H12N3O2F5 |
| Smiles | O=C(CCNC(c1ccccc1)=O)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C17H12F5N3O2/c18-12-10(13(19)15(21)16(22)14(12)20)8-24-25-11(26)6-7-23-17(27)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,23,27)(H,25,26) |
| InChIK | BSPIWVGMKINCEA-UHFFFAOYSA-N |
| TotalMolweight | 385.291 |
| Molweight | 385.291 |
| MonoisotopicMass | 385.084967 |
| CLogP | 3.2437 |
| CLogS | -5.328 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 275.47 |
| Relative PSA | 0.21966 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.9388 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-[3-oxo-3-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propyl]benzamide | 2 - N-[3-oxo-3-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propyl]benzamide
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