4-[(Z)-[[2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C23H18N3O5Cl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[(Z)-[[2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C23H18N3O5Cl2FS |
| Smiles | OC(c1ccc(/C=N\NC(CN(Cc(c(F)ccc2)c2Cl)S(c(cc2)ccc2Cl)(=O)=O)=O)cc1)=O |
| InChI | InChI=1S/C23H18Cl2FN3O5S/c24-17-8-10-18(11-9-17)35(33,34)29(13-19-20(25)2-1-3-21(19)26)14-22(30)28-27-12-15-4-6-16(7-5-15)23(31)32/h1-12H,13-14H2,(H,28,30)(H,31,32) |
| InChIK | OXILTKINAFQMHN-UHFFFAOYSA-N |
| TotalMolweight | 538.382 |
| Molweight | 538.382 |
| MonoisotopicMass | 537.032824 |
| CLogP | 4.2811 |
| CLogS | -5.744 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 374.44 |
| Relative PSA | 0.25179 |
| PolarSurfaceArea | 124.52 |
| Druglikeness | 1.0936 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
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