N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
Formula:C27H17N3O2ClF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide |
| MolecularFormula | C27H17N3O2ClF |
| Smiles | O=C(c1cc(-c(cc2)ccc2F)nc2ccccc12)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 |
| InChI | InChI=1S/C27H17ClFN3O2/c28-19-5-3-4-18(14-19)26-13-12-21(34-26)16-30-32-27(33)23-15-25(17-8-10-20(29)11-9-17)31-24-7-2-1-6-22(23)24/h1-16H,(H,32,33) |
| InChIK | RGRNETDZQPVQNC-UHFFFAOYSA-N |
| TotalMolweight | 469.902 |
| Molweight | 469.902 |
| MonoisotopicMass | 469.099332 |
| CLogP | 6.9135 |
| CLogS | -8.715 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 351.33 |
| Relative PSA | 0.17388 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 5.1537 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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