| MolName | [4-bromo-2-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C23H15N3O4BrCl3 |
| Smiles | O=C(CNC(c(cc1)cc(Cl)c1Cl)=O)N/N=C\c(cc(cc1)Br)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C23H15BrCl3N3O4/c24-15-6-8-20(34-23(33)16-3-1-2-4-17(16)25)14(9-15)11-29-30-21(31)12-28-22(32)13-5-7-18(26)19(27)10-13/h1-11H,12H2,(H,28,32)(H,30,31) |
| InChIK | SYOMRCMHPOTSMU-UHFFFAOYSA-N |
| TotalMolweight | 583.652 |
| Molweight | 583.652 |
| MonoisotopicMass | 580.931149 |
| CLogP | 6.259 |
| CLogS | -8 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 382.36 |
| Relative PSA | 0.21851 |
| 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 | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate