[4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Formula:C22H18N3O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate |
| MolecularFormula | C22H18N3O5BrS |
| Smiles | O=C(CNS(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O |
| InChI | InChI=1S/C22H18BrN3O5S/c23-20-9-5-4-8-19(20)22(28)31-17-12-10-16(11-13-17)14-24-26-21(27)15-25-32(29,30)18-6-2-1-3-7-18/h1-14,25H,15H2,(H,26,27) |
| InChIK | UJFFWIKSURTSIM-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 | -4.7636 |
| 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 | 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 |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate | 2 - [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
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