N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
Formula:C27H18N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide |
| MolecularFormula | C27H18N4O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cc(-c(cc3)ccc3-c3ccccc3)nc3ccccc23)=O)o1)=O |
| InChI | InChI=1S/C27H18N4O4/c32-27(30-28-17-21-14-15-26(35-21)31(33)34)23-16-25(29-24-9-5-4-8-22(23)24)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-17H,(H,30,32) |
| InChIK | JOZVIIBGWDNLRM-UHFFFAOYSA-N |
| TotalMolweight | 462.464 |
| Molweight | 462.464 |
| MonoisotopicMass | 462.132806 |
| CLogP | 5.5455 |
| CLogS | -8.958 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 353.23 |
| Relative PSA | 0.25907 |
| PolarSurfaceArea | 113.31 |
| Druglikeness | 3.0702 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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