5-chloro-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C23H16N3O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-chloro-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | 5-chloro-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C23H16N3O5Cl |
| Smiles | [O-][N+](c1ccc(COc2c(/C=N\NC(c3cc(cc(cc4)Cl)c4o3)=O)cccc2)cc1)=O |
| InChI | InChI=1S/C23H16ClN3O5/c24-18-7-10-21-17(11-18)12-22(32-21)23(28)26-25-13-16-3-1-2-4-20(16)31-14-15-5-8-19(9-6-15)27(29)30/h1-13H,14H2,(H,26,28) |
| InChIK | RDQYODVVKYXHMO-UHFFFAOYSA-N |
| TotalMolweight | 449.849 |
| Molweight | 449.849 |
| MonoisotopicMass | 449.077849 |
| CLogP | 4.7397 |
| CLogS | -7.441 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 333.89 |
| Relative PSA | 0.27117 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | -0.51941 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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