N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C24H15N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C24H15N3O5 |
| Smiles | [O-][N+](c(cccc1)c1-c1ccc(/C=N\NC(c2cc(c3ccccc3cc3)c3o2)=O)o1)=O |
| InChI | InChI=1S/C24H15N3O5/c28-24(23-13-19-17-6-2-1-5-15(17)9-11-22(19)32-23)26-25-14-16-10-12-21(31-16)18-7-3-4-8-20(18)27(29)30/h1-14H,(H,26,28) |
| InChIK | KLDKCUKDLFZISS-UHFFFAOYSA-N |
| TotalMolweight | 425.399 |
| Molweight | 425.399 |
| MonoisotopicMass | 425.101172 |
| CLogP | 4.9189 |
| CLogS | -8.43 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 319 |
| Relative PSA | 0.29671 |
| 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 | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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