2-[2-[(Z)-[[4-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C20H17N3O6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[4-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[4-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C20H17N3O6S2 |
| Smiles | OC(COc1c(/C=N\NC(c(cc2)ccc2NS(c2cccs2)(=O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C20H17N3O6S2/c24-18(25)13-29-17-5-2-1-4-15(17)12-21-22-20(26)14-7-9-16(10-8-14)23-31(27,28)19-6-3-11-30-19/h1-12,23H,13H2,(H,22,26)(H,24,25) |
| InChIK | HHNUMUJCNMAZHW-UHFFFAOYSA-N |
| TotalMolweight | 459.502 |
| Molweight | 459.502 |
| MonoisotopicMass | 459.055877 |
| CLogP | 2.5498 |
| CLogS | -4.764 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 330.59 |
| Relative PSA | 0.40095 |
| PolarSurfaceArea | 170.78 |
| Druglikeness | 7.6328 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[4-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[4-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
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