5-(4-chlorophenyl)-2-[(Z)-(5-chlorothiadiazol-4-yl)methoxyiminomethyl]cyclohexane-1,3-dione
Formula:C16H13N3O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(4-chlorophenyl)-2-[(Z)-(5-chlorothiadiazol-4-yl)methoxyiminomethyl]cyclohexane-1,3-dione is a drug-like molecule.
| MolName | 5-(4-chlorophenyl)-2-[(Z)-(5-chlorothiadiazol-4-yl)methoxyiminomethyl]cyclohexane-1,3-dione |
| MolecularFormula | C16H13N3O3Cl2S |
| Smiles | O=C(CC(C1)c(cc2)ccc2Cl)C(/C=N\OCc(nns2)c2Cl)C1=O |
| InChI | InChI=1S/C16H13Cl2N3O3S/c17-11-3-1-9(2-4-11)10-5-14(22)12(15(23)6-10)7-19-24-8-13-16(18)25-21-20-13/h1-4,7,10,12H,5-6,8H2 |
| InChIK | KEUPNSQWRKWLMJ-UHFFFAOYSA-N |
| TotalMolweight | 398.269 |
| Molweight | 398.269 |
| MonoisotopicMass | 397.005466 |
| CLogP | 4.1542 |
| CLogS | -5.407 |
| H Acceptors | 6 |
| TotalSurfaceArea | 280.36 |
| Relative PSA | 0.32062 |
| PolarSurfaceArea | 109.75 |
| Druglikeness | -1.4247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 5-(4-chlorophenyl)-2-[(Z)-(5-chlorothiadiazol-4-yl)methoxyiminomethyl]cyclohexane-1,3-dione | 2 - 5-(4-chlorophenyl)-2-[(Z)-(5-chlorothiadiazol-4-yl)methoxyiminomethyl]cyclohexane-1,3-dione
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