2-(2-fluorophenoxy)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
Formula:C16H12N3O6F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-fluorophenoxy)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-fluorophenoxy)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide |
| MolecularFormula | C16H12N3O6F |
| Smiles | [O-][N+](c1c(/C=N\NC(COc(cccc2)c2F)=O)cc2OCOc2c1)=O |
| InChI | InChI=1S/C16H12FN3O6/c17-11-3-1-2-4-13(11)24-8-16(21)19-18-7-10-5-14-15(26-9-25-14)6-12(10)20(22)23/h1-7H,8-9H2,(H,19,21) |
| InChIK | BNWSVTKWRKEFKH-UHFFFAOYSA-N |
| TotalMolweight | 361.284 |
| Molweight | 361.284 |
| MonoisotopicMass | 361.071015 |
| CLogP | 2.0671 |
| CLogS | -4.986 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 261.03 |
| Relative PSA | 0.36942 |
| PolarSurfaceArea | 114.97 |
| Druglikeness | -2.3184 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(2-fluorophenoxy)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide | 2 - 2-(2-fluorophenoxy)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
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