N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C20H13N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C20H13N3O5 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\NC(c3cc(cccc4)c4o3)=O)o2)ccc1)=O |
| InChI | InChI=1S/C20H13N3O5/c24-20(19-11-14-4-1-2-7-17(14)28-19)22-21-12-16-8-9-18(27-16)13-5-3-6-15(10-13)23(25)26/h1-12H,(H,22,24) |
| InChIK | HOXIQCPCVKCEJH-UHFFFAOYSA-N |
| TotalMolweight | 375.339 |
| Molweight | 375.339 |
| MonoisotopicMass | 375.085522 |
| CLogP | 3.7245 |
| CLogS | -6.824 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 284.4 |
| Relative PSA | 0.33281 |
| PolarSurfaceArea | 113.56 |
| Druglikeness | 1.5725 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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