| MolName | 2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazole-4-carbohydrazide |
| MolecularFormula | C11H11N5OS |
| Smiles | NNC(c1csc(N/N=C\c2ccccc2)n1)=O |
| InChI | InChI=1S/C11H11N5OS/c12-15-10(17)9-7-18-11(14-9)16-13-6-8-4-2-1-3-5-8/h1-7H,12H2,(H,14,16)(H,15,17) |
| InChIK | XFICSPGSHLNFJN-UHFFFAOYSA-N |
| TotalMolweight | 261.308 |
| Molweight | 261.308 |
| MonoisotopicMass | 261.06843 |
| CLogP | 2.8434 |
| CLogS | -3.272 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 201.67 |
| Relative PSA | 0.46646 |
| PolarSurfaceArea | 120.64 |
| Druglikeness | -0.84888 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazole-4-carbohydrazide | 2 - 2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazole-4-carbohydrazide