(E)-2-(benzenesulfonyl)-3-(5-bromofuran-2-yl)prop-2-enenitrile
Formula:C13H8NO3BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-(benzenesulfonyl)-3-(5-bromofuran-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(benzenesulfonyl)-3-(5-bromofuran-2-yl)prop-2-enenitrile |
| MolecularFormula | C13H8NO3BrS |
| Smiles | N#C/C(/S(c1ccccc1)(=O)=O)=C\c(o1)ccc1Br |
| InChI | InChI=1S/C13H8BrNO3S/c14-13-7-6-10(18-13)8-12(9-15)19(16,17)11-4-2-1-3-5-11/h1-8H |
| InChIK | RPRKJWJPFKSFOR-UHFFFAOYSA-N |
| TotalMolweight | 338.181 |
| Molweight | 338.181 |
| MonoisotopicMass | 336.940825 |
| CLogP | 2.4208 |
| CLogS | -4.522 |
| H Acceptors | 4 |
| TotalSurfaceArea | 216.34 |
| Relative PSA | 0.26001 |
| PolarSurfaceArea | 79.45 |
| Druglikeness | -14.999 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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