(E)-2-(2,5-dibromophenyl)sulfonyl-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile
Formula:C16H9NO3Br2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(2,5-dibromophenyl)sulfonyl-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(2,5-dibromophenyl)sulfonyl-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile |
| MolecularFormula | C16H9NO3Br2F2S |
| Smiles | N#C/C(/S(c(cc(cc1)Br)c1Br)(=O)=O)=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C16H9Br2F2NO3S/c17-11-3-6-14(18)15(8-11)25(22,23)13(9-21)7-10-1-4-12(5-2-10)24-16(19)20/h1-8,16H |
| InChIK | XARXVFKWJCYMNA-UHFFFAOYSA-N |
| TotalMolweight | 493.121 |
| Molweight | 493.121 |
| MonoisotopicMass | 490.863792 |
| CLogP | 4.0293 |
| CLogS | -6.533 |
| H Acceptors | 4 |
| TotalSurfaceArea | 280.48 |
| Relative PSA | 0.1859 |
| PolarSurfaceArea | 75.54 |
| Druglikeness | -8.458 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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