| MolName | [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C23H17N3O4BrCl |
| Smiles | O=C(CNC(c(cc1)ccc1Cl)=O)N/N=C\c(cc1)ccc1OC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C23H17BrClN3O4/c24-18-7-3-17(4-8-18)23(31)32-20-11-1-15(2-12-20)13-27-28-21(29)14-26-22(30)16-5-9-19(25)10-6-16/h1-13H,14H2,(H,26,30)(H,28,29) |
| InChIK | FTRHKAYYCDKJKO-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 | 0.71875 |
| 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 | 6 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate