[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Formula:C22H17N3O5ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate |
| MolecularFormula | C22H17N3O5ClFS |
| Smiles | O=C(CNS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1F)=O |
| InChI | InChI=1S/C22H17ClFN3O5S/c23-16-7-11-18(12-8-16)33(30,31)26-14-21(28)27-25-13-15-5-9-17(10-6-15)32-22(29)19-3-1-2-4-20(19)24/h1-13,26H,14H2,(H,27,28) |
| InChIK | MDHHMGRFXOVKNV-UHFFFAOYSA-N |
| TotalMolweight | 489.91 |
| Molweight | 489.91 |
| MonoisotopicMass | 489.056147 |
| CLogP | 4.1092 |
| CLogS | -5.556 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 350.07 |
| Relative PSA | 0.28306 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 5.6158 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate | 2 - [4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
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