| MolName | [4-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate |
| MolecularFormula | C22H14N2O4Br4 |
| Smiles | O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O |
| InChI | InChI=1S/C22H14Br4N2O4/c23-14-9-18(25)21(19(26)10-14)31-12-20(29)28-27-11-13-5-7-15(8-6-13)32-22(30)16-3-1-2-4-17(16)24/h1-11H,12H2,(H,28,29) |
| InChIK | OQTZRHCYHCUQPP-UHFFFAOYSA-N |
| TotalMolweight | 689.979 |
| Molweight | 689.979 |
| MonoisotopicMass | 685.768702 |
| CLogP | 7.1078 |
| CLogS | -8.307 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 372.78 |
| Relative PSA | 0.18523 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.1789 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - [4-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate | 2 - [4-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate