| MolName | [4-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C23H17N3O4BrCl |
| Smiles | O=C(CNC(c(cccc1)c1Br)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C23H17BrClN3O4/c24-19-7-3-1-5-17(19)22(30)26-14-21(29)28-27-13-15-9-11-16(12-10-15)32-23(31)18-6-2-4-8-20(18)25/h1-13H,14H2,(H,26,30)(H,28,29) |
| InChIK | YVMYRWREIIYRBM-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 | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| 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-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate