| MolName | [(Z)-(4-bromophenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate |
| MolecularFormula | C15H10NO3BrCl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)O/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H10BrCl2NO3/c16-11-3-1-10(2-4-11)8-19-22-15(20)9-21-14-6-5-12(17)7-13(14)18/h1-8H,9H2 |
| InChIK | MSSOYXRXIVCZGK-UHFFFAOYSA-N |
| TotalMolweight | 403.058 |
| Molweight | 403.058 |
| MonoisotopicMass | 400.922109 |
| CLogP | 5.4302 |
| CLogS | -5.857 |
| H Acceptors | 4 |
| TotalSurfaceArea | 258.76 |
| Relative PSA | 0.17217 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -4.9689 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(Z)-(4-bromophenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate | 2 - [(Z)-(4-bromophenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate