2-[4-[(Z)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
Formula:C16H16N4O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
2-[4-[(Z)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide |
| MolecularFormula | C16H16N4O2S |
| Smiles | NC(COc1ccc(/C=N\NC(Nc2ccccc2)=S)cc1)=O |
| InChI | InChI=1S/C16H16N4O2S/c17-15(21)11-22-14-8-6-12(7-9-14)10-18-20-16(23)19-13-4-2-1-3-5-13/h1-10H,11H2,(H2,17,21)(H2,19,20,23) |
| InChIK | FVFDRMHCKZBZLY-UHFFFAOYSA-N |
| TotalMolweight | 328.395 |
| Molweight | 328.395 |
| MonoisotopicMass | 328.099396 |
| CLogP | 2.2544 |
| CLogS | -4.19 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 263.44 |
| Relative PSA | 0.3824 |
| PolarSurfaceArea | 120.83 |
| Druglikeness | 2.5969 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide | 2 - 2-[4-[(Z)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
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