[(Z)-(2-chloro-6,7-dihydro-5H-1-benzothiophen-4-ylidene)amino] benzenesulfonate
Formula:C14H12NO3ClS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[(Z)-(2-chloro-6,7-dihydro-5H-1-benzothiophen-4-ylidene)amino] benzenesulfonate is not a drug-like molecule.
| MolName | [(Z)-(2-chloro-6,7-dihydro-5H-1-benzothiophen-4-ylidene)amino] benzenesulfonate |
| MolecularFormula | C14H12NO3ClS2 |
| Smiles | O=S(c1ccccc1)(O/N=C(/CCC1)\c2c1sc(Cl)c2)=O |
| InChI | InChI=1S/C14H12ClNO3S2/c15-14-9-11-12(7-4-8-13(11)20-14)16-19-21(17,18)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2 |
| InChIK | JFFZLZSXDACVBY-UHFFFAOYSA-N |
| TotalMolweight | 341.838 |
| Molweight | 341.838 |
| MonoisotopicMass | 340.994711 |
| CLogP | 5.4926 |
| CLogS | -4.556 |
| H Acceptors | 4 |
| TotalSurfaceArea | 233.71 |
| Relative PSA | 0.30144 |
| PolarSurfaceArea | 92.35 |
| Druglikeness | -5.6696 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - [(Z)-(2-chloro-6,7-dihydro-5H-1-benzothiophen-4-ylidene)amino] benzenesulfonate | 2 - [(Z)-(2-chloro-6,7-dihydro-5H-1-benzothiophen-4-ylidene)amino] benzenesulfonate
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