(E)-3-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Formula:C16H9N2OBrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile |
| MolecularFormula | C16H9N2OBrS |
| Smiles | N#C/C(/c1nc(-c2ccccc2)cs1)=C\c(o1)ccc1Br |
| InChI | InChI=1S/C16H9BrN2OS/c17-15-7-6-13(20-15)8-12(9-18)16-19-14(10-21-16)11-4-2-1-3-5-11/h1-8,10H |
| InChIK | QSSJLRJJVFMUTL-UHFFFAOYSA-N |
| TotalMolweight | 357.23 |
| Molweight | 357.23 |
| MonoisotopicMass | 355.961894 |
| CLogP | 3.9242 |
| CLogS | -4.716 |
| H Acceptors | 3 |
| TotalSurfaceArea | 242.22 |
| Relative PSA | 0.24358 |
| PolarSurfaceArea | 78.06 |
| Druglikeness | -4.0134 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile | 2 - (E)-3-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off