2-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole
Formula:C26H19NOS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole is not a drug-like molecule.
| MolName | 2-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole |
| MolecularFormula | C26H19NOS |
| Smiles | C(c1ccccc1)Oc1cccc(/C=C/c2nc(c3ccccc3cc3)c3s2)c1 |
| InChI | InChI=1S/C26H19NOS/c1-2-7-20(8-3-1)18-28-22-11-6-9-19(17-22)13-16-25-27-26-23-12-5-4-10-21(23)14-15-24(26)29-25/h1-17H,18H2 |
| InChIK | ULJIQTYXRCQHHA-UHFFFAOYSA-N |
| TotalMolweight | 393.509 |
| Molweight | 393.509 |
| MonoisotopicMass | 393.118734 |
| CLogP | 6.4163 |
| CLogS | -6.963 |
| H Acceptors | 2 |
| TotalSurfaceArea | 306.94 |
| Relative PSA | 0.13465 |
| PolarSurfaceArea | 50.36 |
| Druglikeness | 0.5343 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole | 2 - 2-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole
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