2-[(E)-2-(2-chloronaphthalen-1-yl)ethenyl]-1,3-benzothiazole
Formula:C19H12NClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(2-chloronaphthalen-1-yl)ethenyl]-1,3-benzothiazole is not a drug-like molecule.
| MolName | 2-[(E)-2-(2-chloronaphthalen-1-yl)ethenyl]-1,3-benzothiazole |
| MolecularFormula | C19H12NClS |
| Smiles | Clc1c(/C=C/c2nc(cccc3)c3s2)c2ccccc2cc1 |
| InChI | InChI=1S/C19H12ClNS/c20-16-11-9-13-5-1-2-6-14(13)15(16)10-12-19-21-17-7-3-4-8-18(17)22-19/h1-12H |
| InChIK | PTNLONGVLIREFR-UHFFFAOYSA-N |
| TotalMolweight | 321.83 |
| Molweight | 321.83 |
| MonoisotopicMass | 321.037896 |
| CLogP | 5.6742 |
| CLogS | -6.358 |
| H Acceptors | 1 |
| TotalSurfaceArea | 238.84 |
| Relative PSA | 0.13118 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | 0.91879 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(2-chloronaphthalen-1-yl)ethenyl]-1,3-benzothiazole | 2 - 2-[(E)-2-(2-chloronaphthalen-1-yl)ethenyl]-1,3-benzothiazole
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