N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide
Formula:C25H18N3O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide |
| MolecularFormula | C25H18N3O5Cl |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1-c1ccc(/C=N\NC(COc(cc2)ccc2-c2ccccc2)=O)o1)=O |
| InChI | InChI=1S/C25H18ClN3O5/c26-23-14-19(29(31)32)8-12-22(23)24-13-11-21(34-24)15-27-28-25(30)16-33-20-9-6-18(7-10-20)17-4-2-1-3-5-17/h1-15H,16H2,(H,28,30) |
| InChIK | KNFZMDXYNPYXPU-UHFFFAOYSA-N |
| TotalMolweight | 475.887 |
| Molweight | 475.887 |
| MonoisotopicMass | 475.093499 |
| CLogP | 5.059 |
| CLogS | -8.243 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 359.05 |
| Relative PSA | 0.25217 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | 1.3799 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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