(4-fluorophenyl) (3Z)-3-[(2,6-dichlorophenyl)methoxyimino]propanoate
Formula:C16H12NO3Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-fluorophenyl) (3Z)-3-[(2,6-dichlorophenyl)methoxyimino]propanoate is a drug-like molecule.
| MolName | (4-fluorophenyl) (3Z)-3-[(2,6-dichlorophenyl)methoxyimino]propanoate |
| MolecularFormula | C16H12NO3Cl2F |
| Smiles | O=C(C/C=N\OCc(c(Cl)ccc1)c1Cl)Oc(cc1)ccc1F |
| InChI | InChI=1S/C16H12Cl2FNO3/c17-14-2-1-3-15(18)13(14)10-22-20-9-8-16(21)23-12-6-4-11(19)5-7-12/h1-7,9H,8,10H2 |
| InChIK | PITILSOIRMQQHL-UHFFFAOYSA-N |
| TotalMolweight | 356.179 |
| Molweight | 356.179 |
| MonoisotopicMass | 355.017826 |
| CLogP | 4.5173 |
| CLogS | -5.382 |
| H Acceptors | 4 |
| TotalSurfaceArea | 260.24 |
| Relative PSA | 0.17119 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -2.254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| StereoCon |
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