(3Z)-3-[(2-chloro-4-fluorophenyl)methoxyimino]-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]propan-1-one
Formula:C19H13N2O2Cl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(2-chloro-4-fluorophenyl)methoxyimino]-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]propan-1-one is not a drug-like molecule.
| MolName | (3Z)-3-[(2-chloro-4-fluorophenyl)methoxyimino]-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]propan-1-one |
| MolecularFormula | C19H13N2O2Cl2FS |
| Smiles | O=C(C/C=N\OCc(ccc(F)c1)c1Cl)c1cnc(-c(cc2)ccc2Cl)s1 |
| InChI | InChI=1S/C19H13Cl2FN2O2S/c20-14-4-1-12(2-5-14)19-23-10-18(27-19)17(25)7-8-24-26-11-13-3-6-15(22)9-16(13)21/h1-6,8-10H,7,11H2 |
| InChIK | CFTNQABKSRONNL-UHFFFAOYSA-N |
| TotalMolweight | 423.294 |
| Molweight | 423.294 |
| MonoisotopicMass | 422.00588 |
| CLogP | 5.1391 |
| CLogS | -6.203 |
| H Acceptors | 4 |
| TotalSurfaceArea | 304.7 |
| Relative PSA | 0.21621 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 1.6231 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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)-3-[(2-chloro-4-fluorophenyl)methoxyimino]-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]propan-1-one | 2 - (3Z)-3-[(2-chloro-4-fluorophenyl)methoxyimino]-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]propan-1-one
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