[2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-4-bromophenyl] 4-chlorobenzoate
Formula:C27H19N3O5BrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-4-bromophenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-4-bromophenyl] 4-chlorobenzoate |
| MolecularFormula | C27H19N3O5BrClS |
| Smiles | O=C(c(cc1)ccc1NS(c1ccccc1)(=O)=O)N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C27H19BrClN3O5S/c28-21-10-15-25(37-27(34)19-6-11-22(29)12-7-19)20(16-21)17-30-31-26(33)18-8-13-23(14-9-18)32-38(35,36)24-4-2-1-3-5-24/h1-17,32H,(H,31,33) |
| InChIK | ZDLYGWKOKPHPCN-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 | -0.56271 |
| Mutagenic | high |
| 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 | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-4-bromophenyl] 4-chlorobenzoate | 2 - [2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-4-bromophenyl] 4-chlorobenzoate
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