2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
Formula:C16H12N2O4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-(3-chloro-4-fluorophenyl)acetamide is a drug-like molecule.
| MolName | 2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-(3-chloro-4-fluorophenyl)acetamide |
| MolecularFormula | C16H12N2O4ClF |
| Smiles | O=C(CO/N=C\c(cc1)cc2c1OCO2)Nc(cc1)cc(Cl)c1F |
| InChI | InChI=1S/C16H12ClFN2O4/c17-12-6-11(2-3-13(12)18)20-16(21)8-24-19-7-10-1-4-14-15(5-10)23-9-22-14/h1-7H,8-9H2,(H,20,21) |
| InChIK | PACDZZDIUUBJKJ-UHFFFAOYSA-N |
| TotalMolweight | 350.732 |
| Molweight | 350.732 |
| MonoisotopicMass | 350.046963 |
| CLogP | 4.0282 |
| CLogS | -5.354 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 252.78 |
| Relative PSA | 0.26114 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 0.7905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-(3-chloro-4-fluorophenyl)acetamide | 2 - 2-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
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