4-(4-fluorophenyl)-2-[(E)-2-naphthalen-1-ylethenyl]-1,3-thiazole
Formula:C21H14NFS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-(4-fluorophenyl)-2-[(E)-2-naphthalen-1-ylethenyl]-1,3-thiazole is not a drug-like molecule.
| MolName | 4-(4-fluorophenyl)-2-[(E)-2-naphthalen-1-ylethenyl]-1,3-thiazole |
| MolecularFormula | C21H14NFS |
| Smiles | Fc(cc1)ccc1-c1csc(/C=C/c2cccc3ccccc23)n1 |
| InChI | InChI=1S/C21H14FNS/c22-18-11-8-17(9-12-18)20-14-24-21(23-20)13-10-16-6-3-5-15-4-1-2-7-19(15)16/h1-14H |
| InChIK | SEWBXHFWGZPZGC-UHFFFAOYSA-N |
| TotalMolweight | 331.413 |
| Molweight | 331.413 |
| MonoisotopicMass | 331.083097 |
| CLogP | 5.7421 |
| CLogS | -6.48 |
| H Acceptors | 1 |
| TotalSurfaceArea | 254.93 |
| Relative PSA | 0.1229 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | 1.1397 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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