(E)-2-(benzenesulfonyl)-3-[4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]phenyl]prop-2-enenitrile
Formula:C24H16N2O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(benzenesulfonyl)-3-[4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(benzenesulfonyl)-3-[4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]phenyl]prop-2-enenitrile |
| MolecularFormula | C24H16N2O4S2 |
| Smiles | N#C/C(/S(c1ccccc1)(=O)=O)=C\c1ccc(/C=C(\C#N)/S(c2ccccc2)(=O)=O)cc1 |
| InChI | InChI=1S/C24H16N2O4S2/c25-17-23(31(27,28)21-7-3-1-4-8-21)15-19-11-13-20(14-12-19)16-24(18-26)32(29,30)22-9-5-2-6-10-22/h1-16H |
| InChIK | JIAWLSPZTAQNHI-UHFFFAOYSA-N |
| TotalMolweight | 460.533 |
| Molweight | 460.533 |
| MonoisotopicMass | 460.055148 |
| CLogP | 3.1594 |
| CLogS | -6.87 |
| H Acceptors | 6 |
| TotalSurfaceArea | 342.78 |
| Relative PSA | 0.24587 |
| PolarSurfaceArea | 132.62 |
| Druglikeness | -13.032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 20 |
| StereoCon |
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1 - (E)-2-(benzenesulfonyl)-3-[4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]phenyl]prop-2-enenitrile | 2 - (E)-2-(benzenesulfonyl)-3-[4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]phenyl]prop-2-enenitrile
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