N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C23H12N3OF5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C23H12N3OF5 |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C23H12F5N3O/c24-18-15(19(25)21(27)22(28)20(18)26)11-29-31-23(32)14-10-17(12-6-2-1-3-7-12)30-16-9-5-4-8-13(14)16/h1-11H,(H,31,32) |
| InChIK | JITCXAIIYUQKRQ-UHFFFAOYSA-N |
| TotalMolweight | 441.358 |
| Molweight | 441.358 |
| MonoisotopicMass | 441.090052 |
| CLogP | 5.7718 |
| CLogS | -7.775 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 311.86 |
| Relative PSA | 0.15064 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 3.1287 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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