2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C15H14N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C15H14N2O5S |
| Smiles | OC(COc1ccc(/C=N\NS(c2ccccc2)(=O)=O)cc1)=O |
| InChI | InChI=1S/C15H14N2O5S/c18-15(19)11-22-13-8-6-12(7-9-13)10-16-17-23(20,21)14-4-2-1-3-5-14/h1-10,17H,11H2,(H,18,19) |
| InChIK | KCBAQQOOIWPYMN-UHFFFAOYSA-N |
| TotalMolweight | 334.351 |
| Molweight | 334.351 |
| MonoisotopicMass | 334.062343 |
| CLogP | 1.3371 |
| CLogS | -1.709 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 245.68 |
| Relative PSA | 0.35693 |
| PolarSurfaceArea | 113.44 |
| Druglikeness | -3.812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]acetic acid
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