| MolName | (3Z)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-[(2-fluorophenyl)methoxyimino]propan-1-one |
| MolecularFormula | C19H14N2O2ClFS |
| Smiles | O=C(C/C=N\OCc(cccc1)c1F)c1cnc(-c(cc2)ccc2Cl)s1 |
| InChI | InChI=1S/C19H14ClFN2O2S/c20-15-7-5-13(6-8-15)19-22-11-18(26-19)17(24)9-10-23-25-12-14-3-1-2-4-16(14)21/h1-8,10-11H,9,12H2 |
| InChIK | ZDLXZQRPOYJVSL-UHFFFAOYSA-N |
| TotalMolweight | 388.849 |
| Molweight | 388.849 |
| MonoisotopicMass | 388.044853 |
| CLogP | 4.5331 |
| CLogS | -5.467 |
| H Acceptors | 4 |
| TotalSurfaceArea | 289.28 |
| Relative PSA | 0.22774 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 1.6231 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (3Z)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-[(2-fluorophenyl)methoxyimino]propan-1-one | 2 - (3Z)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-[(2-fluorophenyl)methoxyimino]propan-1-one