2-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]-2-chlorophenoxy]acetamide
Formula:C10H11N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]-2-chlorophenoxy]acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]-2-chlorophenoxy]acetamide |
| MolecularFormula | C10H11N4O2ClS |
| Smiles | NC(COc(ccc(/C=N\NC(N)=S)c1)c1Cl)=O |
| InChI | InChI=1S/C10H11ClN4O2S/c11-7-3-6(4-14-15-10(13)18)1-2-8(7)17-5-9(12)16/h1-4H,5H2,(H2,12,16)(H3,13,15,18) |
| InChIK | YCUPKSFMGRVMIW-UHFFFAOYSA-N |
| TotalMolweight | 286.742 |
| Molweight | 286.742 |
| MonoisotopicMass | 286.029123 |
| CLogP | 0.8002 |
| CLogS | -3.503 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 216.16 |
| Relative PSA | 0.48367 |
| PolarSurfaceArea | 134.82 |
| Druglikeness | 2.6574 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]-2-chlorophenoxy]acetamide | 2 - 2-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]-2-chlorophenoxy]acetamide
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