(Z)-N-[2-(4-chlorophenyl)sulfonylethoxy]-1-(furan-2-yl)methanimine
Formula:C13H12NO4ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[2-(4-chlorophenyl)sulfonylethoxy]-1-(furan-2-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[2-(4-chlorophenyl)sulfonylethoxy]-1-(furan-2-yl)methanimine |
| MolecularFormula | C13H12NO4ClS |
| Smiles | O=S(CCO/N=C\c1ccco1)(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C13H12ClNO4S/c14-11-3-5-13(6-4-11)20(16,17)9-8-19-15-10-12-2-1-7-18-12/h1-7,10H,8-9H2 |
| InChIK | FSXYAPWMFYFSMK-UHFFFAOYSA-N |
| TotalMolweight | 313.76 |
| Molweight | 313.76 |
| MonoisotopicMass | 313.017556 |
| CLogP | 2.8 |
| CLogS | -4.318 |
| H Acceptors | 5 |
| TotalSurfaceArea | 228.99 |
| Relative PSA | 0.28036 |
| PolarSurfaceArea | 77.25 |
| Druglikeness | -1.235 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon |
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