2-[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C17H16N3O6ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C17H16N3O6ClS |
| Smiles | OC(COc1ccc(/C=N\NC(CNS(c(cc2)ccc2Cl)(=O)=O)=O)cc1)=O |
| InChI | InChI=1S/C17H16ClN3O6S/c18-13-3-7-15(8-4-13)28(25,26)20-10-16(22)21-19-9-12-1-5-14(6-2-12)27-11-17(23)24/h1-9,20H,10-11H2,(H,21,22)(H,23,24) |
| InChIK | GVWMLERVEYDZPL-UHFFFAOYSA-N |
| TotalMolweight | 425.848 |
| Molweight | 425.848 |
| MonoisotopicMass | 425.044834 |
| CLogP | 1.6379 |
| CLogS | -3.565 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 304.07 |
| Relative PSA | 0.36896 |
| PolarSurfaceArea | 142.54 |
| Druglikeness | 7.4352 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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