2-(4-chlorophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]quinoline-4-carboxamide
Formula:C23H11N3OClF5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(4-chlorophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C23H11N3OClF5 |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)nc2ccccc12)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C23H11ClF5N3O/c24-12-7-5-11(6-8-12)17-9-14(13-3-1-2-4-16(13)31-17)23(33)32-30-10-15-18(25)20(27)22(29)21(28)19(15)26/h1-10H,(H,32,33) |
| InChIK | YXQNBJGNTXGGRY-UHFFFAOYSA-N |
| TotalMolweight | 475.803 |
| Molweight | 475.803 |
| MonoisotopicMass | 475.051079 |
| CLogP | 6.3778 |
| CLogS | -8.511 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 327.28 |
| Relative PSA | 0.14355 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 3.1315 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(4-chlorophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]quinoline-4-carboxamide | 2 - 2-(4-chlorophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]quinoline-4-carboxamide
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