2-[(Z)-(5-chlorothiadiazol-4-yl)methoxyiminomethyl]cyclohexane-1,3-dione
Formula:C10H10N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(5-chlorothiadiazol-4-yl)methoxyiminomethyl]cyclohexane-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-(5-chlorothiadiazol-4-yl)methoxyiminomethyl]cyclohexane-1,3-dione |
| MolecularFormula | C10H10N3O3ClS |
| Smiles | O=C(CCC1)C(/C=N\OCc(nns2)c2Cl)C1=O |
| InChI | InChI=1S/C10H10ClN3O3S/c11-10-7(13-14-18-10)5-17-12-4-6-8(15)2-1-3-9(6)16/h4,6H,1-3,5H2 |
| InChIK | QPUQKEFIOOWJST-UHFFFAOYSA-N |
| TotalMolweight | 287.726 |
| Molweight | 287.726 |
| MonoisotopicMass | 287.013139 |
| CLogP | 1.8038 |
| CLogS | -3.438 |
| H Acceptors | 6 |
| TotalSurfaceArea | 206.44 |
| Relative PSA | 0.43543 |
| PolarSurfaceArea | 109.75 |
| Druglikeness | -6.9751 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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