(E)-2-(2,4-dichlorophenyl)sulfonyl-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile
Formula:C17H11NO3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(2,4-dichlorophenyl)sulfonyl-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(2,4-dichlorophenyl)sulfonyl-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile |
| MolecularFormula | C17H11NO3Cl2S |
| Smiles | N#C/C(/S(c(ccc(Cl)c1)c1Cl)(=O)=O)=C\c(cc1)cc2c1OCC2 |
| InChI | InChI=1S/C17H11Cl2NO3S/c18-13-2-4-17(15(19)9-13)24(21,22)14(10-20)8-11-1-3-16-12(7-11)5-6-23-16/h1-4,7-9H,5-6H2 |
| InChIK | GAOGWKPHPDGMFG-UHFFFAOYSA-N |
| TotalMolweight | 380.25 |
| Molweight | 380.25 |
| MonoisotopicMass | 378.983668 |
| CLogP | 3.8473 |
| CLogS | -6.082 |
| H Acceptors | 4 |
| TotalSurfaceArea | 262.88 |
| Relative PSA | 0.19834 |
| PolarSurfaceArea | 75.54 |
| Druglikeness | -2.6773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - (E)-2-(2,4-dichlorophenyl)sulfonyl-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile | 2 - (E)-2-(2,4-dichlorophenyl)sulfonyl-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile
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