(Z)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-phenylprop-2-enenitrile
Formula:C19H11NOBrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-phenylprop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-phenylprop-2-enenitrile |
| MolecularFormula | C19H11NOBrClS |
| Smiles | N#C/C(/c1ccccc1)=C\c(o1)cc(Br)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C19H11BrClNOS/c20-18-11-16(10-14(12-22)13-4-2-1-3-5-13)23-19(18)24-17-8-6-15(21)7-9-17/h1-11H |
| InChIK | VZULXDPQUVPAPP-UHFFFAOYSA-N |
| TotalMolweight | 416.725 |
| Molweight | 416.725 |
| MonoisotopicMass | 414.943322 |
| CLogP | 5.771 |
| CLogS | -6.43 |
| H Acceptors | 2 |
| TotalSurfaceArea | 280.43 |
| Relative PSA | 0.16104 |
| PolarSurfaceArea | 62.23 |
| Druglikeness | -9.7171 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-phenylprop-2-enenitrile | 2 - (Z)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-phenylprop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off