2-[2-[(Z)-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetate
Formula:C22H17N3O6ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C22H17N3O6ClS |
| Smiles | [O-]C(COc1c(/C=N\NC(c2cccc(S(Nc(cc3)ccc3Cl)(=O)=O)c2)=O)cccc1)=O |
| InChI | InChI=1S/C22H18ClN3O6S/c23-17-8-10-18(11-9-17)26-33(30,31)19-6-3-5-15(12-19)22(29)25-24-13-16-4-1-2-7-20(16)32-14-21(27)28/h1-13,26H,14H2,(H,25,29)(H,27,28)/p-1 |
| InChIK | HMIAVVHDISYHOD-UHFFFAOYSA-M |
| TotalMolweight | 486.911 |
| Molweight | 486.911 |
| MonoisotopicMass | 486.052659 |
| CLogP | 1.0907 |
| CLogS | -5.583 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 351.25 |
| Relative PSA | 0.32276 |
| PolarSurfaceArea | 145.37 |
| Druglikeness | 2.4401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[[3-[(4-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetate
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