[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 4-chlorobenzenesulfonate
Formula:C14H12NO4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 4-chlorobenzenesulfonate is a drug-like molecule.
| MolName | [(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 4-chlorobenzenesulfonate |
| MolecularFormula | C14H12NO4ClS |
| Smiles | O=S(c(cc1)ccc1Cl)(O/N=C(/CCC1)\c2c1occ2)=O |
| InChI | InChI=1S/C14H12ClNO4S/c15-10-4-6-11(7-5-10)21(17,18)20-16-13-2-1-3-14-12(13)8-9-19-14/h4-9H,1-3H2 |
| InChIK | VMWVVIPXLUGVQP-UHFFFAOYSA-N |
| TotalMolweight | 325.771 |
| Molweight | 325.771 |
| MonoisotopicMass | 325.017556 |
| CLogP | 4.61 |
| CLogS | -4.211 |
| H Acceptors | 5 |
| TotalSurfaceArea | 227.46 |
| Relative PSA | 0.28225 |
| PolarSurfaceArea | 77.25 |
| Druglikeness | -1.4685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| 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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