| MolName | [2-(4-bromobenzoyl)oxy-4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C29H19N2O6Br3 |
| Smiles | O=C(COc1cccc(Br)c1)N/N=C\c(cc1)cc(OC(c(cc2)ccc2Br)=O)c1OC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C29H19Br3N2O6/c30-21-9-5-19(6-10-21)28(36)39-25-13-4-18(14-26(25)40-29(37)20-7-11-22(31)12-8-20)16-33-34-27(35)17-38-24-3-1-2-23(32)15-24/h1-16H,17H2,(H,34,35) |
| InChIK | ZIOZPVXJKZTVOT-UHFFFAOYSA-N |
| TotalMolweight | 731.19 |
| Molweight | 731.19 |
| MonoisotopicMass | 727.879321 |
| CLogP | 7.8131 |
| CLogS | -8.943 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 441.66 |
| Relative PSA | 0.20851 |
| PolarSurfaceArea | 103.29 |
| Druglikeness | 2.1789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.525 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [2-(4-bromobenzoyl)oxy-4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [2-(4-bromobenzoyl)oxy-4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate