(Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methoxy]methanimine
Formula:C15H11NO3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methoxy]methanimine is a drug-like molecule.
| MolName | (Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methoxy]methanimine |
| MolecularFormula | C15H11NO3BrF |
| Smiles | Fc1c(CO/N=C\c(cc2OCOc2c2)c2Br)cccc1 |
| InChI | InChI=1S/C15H11BrFNO3/c16-12-6-15-14(19-9-20-15)5-11(12)7-18-21-8-10-3-1-2-4-13(10)17/h1-7H,8-9H2 |
| InChIK | DFZYGMGGCAMGER-UHFFFAOYSA-N |
| TotalMolweight | 352.158 |
| Molweight | 352.158 |
| MonoisotopicMass | 350.990633 |
| CLogP | 4.7731 |
| CLogS | -5.501 |
| H Acceptors | 4 |
| TotalSurfaceArea | 226.78 |
| Relative PSA | 0.18304 |
| PolarSurfaceArea | 40.05 |
| Druglikeness | -3.1514 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon |
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