2-[(E)-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]-1,3-benzothiazole
Formula:C19H11NOCl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]-1,3-benzothiazole is not a drug-like molecule.
| MolName | 2-[(E)-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]-1,3-benzothiazole |
| MolecularFormula | C19H11NOCl2S |
| Smiles | Clc(cccc1-c2ccc(/C=C/c3nc(cccc4)c4s3)o2)c1Cl |
| InChI | InChI=1S/C19H11Cl2NOS/c20-14-5-3-4-13(19(14)21)16-10-8-12(23-16)9-11-18-22-15-6-1-2-7-17(15)24-18/h1-11H |
| InChIK | XPQKFDMLRKJNNQ-UHFFFAOYSA-N |
| TotalMolweight | 372.274 |
| Molweight | 372.274 |
| MonoisotopicMass | 370.993838 |
| CLogP | 6.0247 |
| CLogS | -6.948 |
| H Acceptors | 2 |
| TotalSurfaceArea | 269.11 |
| Relative PSA | 0.16885 |
| PolarSurfaceArea | 54.27 |
| Druglikeness | 2.3648 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]-1,3-benzothiazole | 2 - 2-[(E)-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]-1,3-benzothiazole
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