2-[4-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C17H15N2O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[4-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C17H15N2O4ClS |
| Smiles | OC(COc1ccc(/C=N\NC(CSc(cc2)ccc2Cl)=O)cc1)=O |
| InChI | InChI=1S/C17H15ClN2O4S/c18-13-3-7-15(8-4-13)25-11-16(21)20-19-9-12-1-5-14(6-2-12)24-10-17(22)23/h1-9H,10-11H2,(H,20,21)(H,22,23) |
| InChIK | PUQSXKDIVGVPEJ-UHFFFAOYSA-N |
| TotalMolweight | 378.835 |
| Molweight | 378.835 |
| MonoisotopicMass | 378.044105 |
| CLogP | 3.0804 |
| CLogS | -4.792 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 281.52 |
| Relative PSA | 0.31841 |
| PolarSurfaceArea | 113.29 |
| Druglikeness | 4.7222 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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