2-[(E)-2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzothiazole
Formula:C19H12NOClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzothiazole is not a drug-like molecule.
| MolName | 2-[(E)-2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzothiazole |
| MolecularFormula | C19H12NOClS |
| Smiles | Clc(cccc1)c1-c1ccc(/C=C/c2nc(cccc3)c3s2)o1 |
| InChI | InChI=1S/C19H12ClNOS/c20-15-6-2-1-5-14(15)17-11-9-13(22-17)10-12-19-21-16-7-3-4-8-18(16)23-19/h1-12H |
| InChIK | YAHOXBRDKVIFOI-UHFFFAOYSA-N |
| TotalMolweight | 337.829 |
| Molweight | 337.829 |
| MonoisotopicMass | 337.032811 |
| CLogP | 5.4187 |
| CLogS | -6.212 |
| H Acceptors | 2 |
| TotalSurfaceArea | 253.69 |
| Relative PSA | 0.17912 |
| PolarSurfaceArea | 54.27 |
| Druglikeness | 2.3648 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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