N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-phenoxyacetamide
Formula:C19H14N3O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-phenoxyacetamide is a drug-like molecule.
| MolName | N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-phenoxyacetamide |
| MolecularFormula | C19H14N3O5Cl |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N/NC(COc3ccccc3)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C19H14ClN3O5/c20-17-8-6-13(23(25)26)10-16(17)18-9-7-15(28-18)11-21-22-19(24)12-27-14-4-2-1-3-5-14/h1-11H,12H2,(H,22,24) |
| InChIK | JQEPPDQIFYEFEY-UHFFFAOYSA-N |
| TotalMolweight | 399.789 |
| Molweight | 399.789 |
| MonoisotopicMass | 399.062199 |
| CLogP | 3.3998 |
| CLogS | -6.157 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 299.29 |
| Relative PSA | 0.30252 |
| 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 | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-phenoxyacetamide | 2 - N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-phenoxyacetamide
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