2-diphenylphosphoryl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Formula:C19H16N3O5P
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-diphenylphosphoryl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-diphenylphosphoryl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C19H16N3O5P |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CP(c2ccccc2)(c2ccccc2)=O)=O)o1)=O |
| InChI | InChI=1S/C19H16N3O5P/c23-18(21-20-13-15-11-12-19(27-15)22(24)25)14-28(26,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H,14H2,(H,21,23) |
| InChIK | MGCQRMRMKHUZBN-UHFFFAOYSA-N |
| TotalMolweight | 397.326 |
| Molweight | 397.326 |
| MonoisotopicMass | 397.082759 |
| CLogP | 2.834 |
| CLogS | -6.246 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 297.64 |
| Relative PSA | 0.32778 |
| PolarSurfaceArea | 127.3 |
| Druglikeness | -11.27 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| 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 | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-diphenylphosphoryl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide | 2 - 2-diphenylphosphoryl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide
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