N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C24H14N3O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C24H14N3O5Cl |
| Smiles | [O-][N+](c(cc(cc1)-c2ccc(/C=N\NC(c3cc(c4ccccc4cc4)c4o3)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C24H14ClN3O5/c25-19-8-5-15(11-20(19)28(30)31)21-10-7-16(32-21)13-26-27-24(29)23-12-18-17-4-2-1-3-14(17)6-9-22(18)33-23/h1-13H,(H,27,29) |
| InChIK | JHRPRBYAIGLXHO-UHFFFAOYSA-N |
| TotalMolweight | 459.844 |
| Molweight | 459.844 |
| MonoisotopicMass | 459.062199 |
| CLogP | 5.5249 |
| CLogS | -9.166 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 334.42 |
| Relative PSA | 0.28303 |
| PolarSurfaceArea | 113.56 |
| Druglikeness | 1.6081 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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