2-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]acetamide
Formula:C17H12N2O5BrClF2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]acetamide is not a drug-like molecule.
| MolName | 2-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]acetamide |
| MolecularFormula | C17H12N2O5BrClF2 |
| Smiles | O=C(CO/N=C\c(cc1OCOc1c1)c1Br)Nc(cc1)ccc1OC(F)(F)Cl |
| InChI | InChI=1S/C17H12BrClF2N2O5/c18-13-6-15-14(25-9-26-15)5-10(13)7-22-27-8-16(24)23-11-1-3-12(4-2-11)28-17(19,20)21/h1-7H,8-9H2,(H,23,24) |
| InChIK | OKFKXFDWFGPIBO-UHFFFAOYSA-N |
| TotalMolweight | 477.644 |
| Molweight | 477.644 |
| MonoisotopicMass | 475.958617 |
| CLogP | 6.4048 |
| CLogS | -6.409 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 298.17 |
| Relative PSA | 0.25492 |
| PolarSurfaceArea | 78.38 |
| Druglikeness | -6.1695 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]acetamide | 2 - 2-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]acetamide
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