4-[(2Z)-2-benzylidenehydrazinyl]-1,1-dioxothiolan-3-ol
Formula:C11H14N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-benzylidenehydrazinyl]-1,1-dioxothiolan-3-ol is a drug-like molecule.
| MolName | 4-[(2Z)-2-benzylidenehydrazinyl]-1,1-dioxothiolan-3-ol |
| MolecularFormula | C11H14N2O3S |
| Smiles | OC(CS(C1)(=O)=O)C1N/N=C\c1ccccc1 |
| InChI | InChI=1S/C11H14N2O3S/c14-11-8-17(15,16)7-10(11)13-12-6-9-4-2-1-3-5-9/h1-6,10-11,13-14H,7-8H2 |
| InChIK | BNUNYBFBSUTNCW-UHFFFAOYSA-N |
| TotalMolweight | 254.309 |
| Molweight | 254.309 |
| MonoisotopicMass | 254.072513 |
| CLogP | 0.2127 |
| CLogS | -2.414 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 183.43 |
| Relative PSA | 0.35245 |
| PolarSurfaceArea | 87.14 |
| Druglikeness | 0.012734 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| StereoCon | unknown chirality |
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1 - 4-[(2Z)-2-benzylidenehydrazinyl]-1,1-dioxothiolan-3-ol | 2 - 4-[(2Z)-2-benzylidenehydrazinyl]-1,1-dioxothiolan-3-ol
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