(Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,4-dichlorophenyl)methoxy]methanimine
Formula:C15H10NO3BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,4-dichlorophenyl)methoxy]methanimine is not a drug-like molecule.
| MolName | (Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,4-dichlorophenyl)methoxy]methanimine |
| MolecularFormula | C15H10NO3BrCl2 |
| Smiles | Clc1cc(Cl)c(CO/N=C\c(cc2OCOc2c2)c2Br)cc1 |
| InChI | InChI=1S/C15H10BrCl2NO3/c16-12-5-15-14(20-8-21-15)3-10(12)6-19-22-7-9-1-2-11(17)4-13(9)18/h1-6H,7-8H2 |
| InChIK | ADVGKTUAWDAOSL-UHFFFAOYSA-N |
| TotalMolweight | 403.058 |
| Molweight | 403.058 |
| MonoisotopicMass | 400.922109 |
| CLogP | 5.8843 |
| CLogS | -6.659 |
| H Acceptors | 4 |
| TotalSurfaceArea | 251.27 |
| Relative PSA | 0.1652 |
| PolarSurfaceArea | 40.05 |
| Druglikeness | -1.7181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - (Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,4-dichlorophenyl)methoxy]methanimine | 2 - (Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,4-dichlorophenyl)methoxy]methanimine
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