(E)-2-(4-chlorophenyl)sulfonyl-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
Formula:C22H14NO3Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-chlorophenyl)sulfonyl-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-2-(4-chlorophenyl)sulfonyl-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile |
| MolecularFormula | C22H14NO3Cl3S |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C\c(cccc1)c1OCc(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C22H14Cl3NO3S/c23-16-8-10-17(11-9-16)30(27,28)18(13-26)12-15-4-1-2-7-22(15)29-14-19-20(24)5-3-6-21(19)25/h1-12H,14H2 |
| InChIK | OPDPFLGSRDSIFT-UHFFFAOYSA-N |
| TotalMolweight | 478.782 |
| Molweight | 478.782 |
| MonoisotopicMass | 476.975995 |
| CLogP | 5.5756 |
| CLogS | -7.792 |
| H Acceptors | 4 |
| TotalSurfaceArea | 337.8 |
| Relative PSA | 0.15435 |
| PolarSurfaceArea | 75.54 |
| Druglikeness | -1.8541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (E)-2-(4-chlorophenyl)sulfonyl-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile | 2 - (E)-2-(4-chlorophenyl)sulfonyl-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
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