2-[(E)-1,2-diphenylethenyl]-1,3-benzothiazole
Formula:C21H15NS
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
2-[(E)-1,2-diphenylethenyl]-1,3-benzothiazole is a drug-like molecule.
| MolName | 2-[(E)-1,2-diphenylethenyl]-1,3-benzothiazole |
| MolecularFormula | C21H15NS |
| Smiles | C(c1ccccc1)=C(/c1nc(cccc2)c2s1)\c1ccccc1 |
| InChI | InChI=1S/C21H15NS/c1-3-9-16(10-4-1)15-18(17-11-5-2-6-12-17)21-22-19-13-7-8-14-20(19)23-21/h1-15H |
| InChIK | XKMJBCWDOMPNEG-UHFFFAOYSA-N |
| TotalMolweight | 313.423 |
| Molweight | 313.423 |
| MonoisotopicMass | 313.092519 |
| CLogP | 4.4225 |
| CLogS | -5.221 |
| H Acceptors | 1 |
| TotalSurfaceArea | 246.79 |
| Relative PSA | 0.12695 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | 1.4175 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-1,2-diphenylethenyl]-1,3-benzothiazole | 2 - 2-[(E)-1,2-diphenylethenyl]-1,3-benzothiazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off