2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1,3]benzothiazole
Formula:C17H11NS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1,3]benzothiazole is a drug-like molecule.
| MolName | 2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1,3]benzothiazole |
| MolecularFormula | C17H11NS2 |
| Smiles | C(c1cccs1)=C/c1nc(c2ccccc2cc2)c2s1 |
| InChI | InChI=1S/C17H11NS2/c1-2-6-14-12(4-1)7-9-15-17(14)18-16(20-15)10-8-13-5-3-11-19-13/h1-11H |
| InChIK | SXCIITMLBAZUNU-UHFFFAOYSA-N |
| TotalMolweight | 293.413 |
| Molweight | 293.413 |
| MonoisotopicMass | 293.033289 |
| CLogP | 4.9348 |
| CLogS | -5.632 |
| H Acceptors | 1 |
| TotalSurfaceArea | 219.36 |
| Relative PSA | 0.23564 |
| PolarSurfaceArea | 69.37 |
| Druglikeness | 1.8878 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1,3]benzothiazole | 2 - 2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1,3]benzothiazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off