2-[(E)-2-(3-phenoxyphenyl)ethenyl]-1,3-benzothiazole
Formula:C21H15NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3-phenoxyphenyl)ethenyl]-1,3-benzothiazole is not a drug-like molecule.
| MolName | 2-[(E)-2-(3-phenoxyphenyl)ethenyl]-1,3-benzothiazole |
| MolecularFormula | C21H15NOS |
| Smiles | C(c1nc(cccc2)c2s1)=C/c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H15NOS/c1-2-8-17(9-3-1)23-18-10-6-7-16(15-18)13-14-21-22-19-11-4-5-12-20(19)24-21/h1-15H |
| InChIK | UOJFCPPOWHBSQN-UHFFFAOYSA-N |
| TotalMolweight | 329.422 |
| Molweight | 329.422 |
| MonoisotopicMass | 329.087434 |
| CLogP | 5.2694 |
| CLogS | -6.313 |
| H Acceptors | 2 |
| TotalSurfaceArea | 258.58 |
| Relative PSA | 0.15983 |
| PolarSurfaceArea | 50.36 |
| Druglikeness | 0.7623 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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