2-(2,4-dinitrophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
Formula:C15H11N4O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2,4-dinitrophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2,4-dinitrophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H11N4O5F |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(CC(N/N=C\c(cccc2)c2F)=O)cc1)=O |
| InChI | InChI=1S/C15H11FN4O5/c16-13-4-2-1-3-11(13)9-17-18-15(21)7-10-5-6-12(19(22)23)8-14(10)20(24)25/h1-6,8-9H,7H2,(H,18,21) |
| InChIK | WYONBFHALUURFA-UHFFFAOYSA-N |
| TotalMolweight | 346.273 |
| Molweight | 346.273 |
| MonoisotopicMass | 346.071349 |
| CLogP | 1.4573 |
| CLogS | -4.92 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 254.44 |
| Relative PSA | 0.38064 |
| PolarSurfaceArea | 133.1 |
| Druglikeness | -2.1341 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-(2,4-dinitrophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide | 2 - 2-(2,4-dinitrophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
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