| MolName | [4-bromo-2-[(Z)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C23H17N3O4BrCl |
| Smiles | O=C(CNC(c1cc(Cl)ccc1)=O)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C23H17BrClN3O4/c24-18-9-10-20(32-23(31)15-5-2-1-3-6-15)17(11-18)13-27-28-21(29)14-26-22(30)16-7-4-8-19(25)12-16/h1-13H,14H2,(H,26,30)(H,28,29) |
| InChIK | KVAJIQLODVGHLX-UHFFFAOYSA-N |
| TotalMolweight | 514.762 |
| Molweight | 514.762 |
| MonoisotopicMass | 513.009095 |
| CLogP | 5.047 |
| CLogS | -6.528 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 351.52 |
| Relative PSA | 0.23768 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.3116 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-bromo-2-[(Z)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate