2-[(2Z)-2-[(4-chlorophenyl)methoxyimino]ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
Formula:C14H9N3OClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[(4-chlorophenyl)methoxyimino]ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile is a drug-like molecule.
| MolName | 2-[(2Z)-2-[(4-chlorophenyl)methoxyimino]ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile |
| MolecularFormula | C14H9N3OClF3S |
| Smiles | N#Cc1c(C(F)(F)F)nc(C/C=N\OCc(cc2)ccc2Cl)s1 |
| InChI | InChI=1S/C14H9ClF3N3OS/c15-10-3-1-9(2-4-10)8-22-20-6-5-12-21-13(14(16,17)18)11(7-19)23-12/h1-4,6H,5,8H2 |
| InChIK | ZMLVVJUCMXRMOV-UHFFFAOYSA-N |
| TotalMolweight | 359.758 |
| Molweight | 359.758 |
| MonoisotopicMass | 359.010693 |
| CLogP | 3.7791 |
| CLogS | -4.98 |
| H Acceptors | 4 |
| TotalSurfaceArea | 256.59 |
| Relative PSA | 0.25878 |
| PolarSurfaceArea | 86.51 |
| Druglikeness | -9.0128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-[(4-chlorophenyl)methoxyimino]ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile | 2 - 2-[(2Z)-2-[(4-chlorophenyl)methoxyimino]ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
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