[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] benzenesulfonate
Formula:C14H13NO4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] benzenesulfonate is a drug-like molecule.
| MolName | [(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] benzenesulfonate |
| MolecularFormula | C14H13NO4S |
| Smiles | O=S(c1ccccc1)(O/N=C(/CCC1)\c2c1occ2)=O |
| InChI | InChI=1S/C14H13NO4S/c16-20(17,11-5-2-1-3-6-11)19-15-13-7-4-8-14-12(13)9-10-18-14/h1-3,5-6,9-10H,4,7-8H2 |
| InChIK | KDYZIRNIGWFEKL-UHFFFAOYSA-N |
| TotalMolweight | 291.326 |
| Molweight | 291.326 |
| MonoisotopicMass | 291.056529 |
| CLogP | 4.004 |
| CLogS | -3.475 |
| H Acceptors | 5 |
| TotalSurfaceArea | 212.04 |
| Relative PSA | 0.30277 |
| PolarSurfaceArea | 77.25 |
| Druglikeness | -7.1692 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| StereoCon |
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