| MolName | [2-(4-bromobenzoyl)oxy-4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C28H18N2O6Br2 |
| Smiles | Oc(cccc1)c1C(N/N=C\c(cc1)cc(OC(c(cc2)ccc2Br)=O)c1OC(c(cc1)ccc1Br)=O)=O |
| InChI | InChI=1S/C28H18Br2N2O6/c29-20-10-6-18(7-11-20)27(35)37-24-14-5-17(16-31-32-26(34)22-3-1-2-4-23(22)33)15-25(24)38-28(36)19-8-12-21(30)13-9-19/h1-16,33H,(H,32,34) |
| InChIK | VIOSWQLGWDXHNU-UHFFFAOYSA-N |
| TotalMolweight | 638.267 |
| Molweight | 638.267 |
| MonoisotopicMass | 635.95316 |
| CLogP | 7.1673 |
| CLogS | -8.033 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 405.62 |
| Relative PSA | 0.23468 |
| PolarSurfaceArea | 114.29 |
| Druglikeness | 2.2078 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [2-(4-bromobenzoyl)oxy-4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [2-(4-bromobenzoyl)oxy-4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate