N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]quinoline-2-carboxamide
Formula:C17H8N3OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]quinoline-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C17H8N3OF5 |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C17H8F5N3O/c18-12-9(13(19)15(21)16(22)14(12)20)7-23-25-17(26)11-6-5-8-3-1-2-4-10(8)24-11/h1-7H,(H,25,26) |
| InChIK | YAAJQPMNLJXKEK-UHFFFAOYSA-N |
| TotalMolweight | 365.261 |
| Molweight | 365.261 |
| MonoisotopicMass | 365.058752 |
| CLogP | 4.0756 |
| CLogS | -6.021 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 252.1 |
| Relative PSA | 0.18635 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 3.1287 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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