| MolName | [4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate |
| MolecularFormula | C27H19N3O5BrClS |
| Smiles | O=C(c(cccc1)c1NS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O |
| InChI | InChI=1S/C27H19BrClN3O5S/c28-24-7-3-1-5-22(24)27(34)37-20-13-9-18(10-14-20)17-30-31-26(33)23-6-2-4-8-25(23)32-38(35,36)21-15-11-19(29)12-16-21/h1-17,32H,(H,31,33) |
| InChIK | ZLPINLZDRGLTPA-UHFFFAOYSA-N |
| TotalMolweight | 612.887 |
| Molweight | 612.887 |
| MonoisotopicMass | 610.99173 |
| CLogP | 6.2624 |
| CLogS | -8.094 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 408.35 |
| Relative PSA | 0.24266 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 3.5657 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60526 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate | 2 - [4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate