[2-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate
Formula:C22H18N3O5BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate is not a drug-like molecule.
| MolName | [2-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate |
| MolecularFormula | C22H18N3O5BrS |
| Smiles | O=C(CNS(c1ccccc1)(=O)=O)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C22H18BrN3O5S/c23-18-11-12-20(31-22(28)16-7-3-1-4-8-16)17(13-18)14-24-26-21(27)15-25-32(29,30)19-9-5-2-6-10-19/h1-14,25H,15H2,(H,26,27) |
| InChIK | HHEXRCAIEGIJQC-UHFFFAOYSA-N |
| TotalMolweight | 516.371 |
| Molweight | 516.371 |
| MonoisotopicMass | 515.015053 |
| CLogP | 4.1276 |
| CLogS | -5.34 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 346.93 |
| Relative PSA | 0.28562 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | -2.7068 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - [2-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate | 2 - [2-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate
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