| MolName | (4-chlorophenyl) (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]propanoate |
| MolecularFormula | C16H12NO3Cl3 |
| Smiles | O=C(C/C=N\OCc(ccc(Cl)c1)c1Cl)Oc(cc1)ccc1Cl |
| InChI | InChI=1S/C16H12Cl3NO3/c17-12-3-5-14(6-4-12)23-16(21)7-8-20-22-10-11-1-2-13(18)9-15(11)19/h1-6,8-9H,7,10H2 |
| InChIK | NQOQKPMAKBHQNV-UHFFFAOYSA-N |
| TotalMolweight | 372.634 |
| Molweight | 372.634 |
| MonoisotopicMass | 370.988275 |
| CLogP | 5.0225 |
| CLogS | -5.804 |
| H Acceptors | 4 |
| TotalSurfaceArea | 269.31 |
| Relative PSA | 0.16542 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -0.91401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73913 |
| 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 | 2 |
| StereoCon |
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1 - (4-chlorophenyl) (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]propanoate | 2 - (4-chlorophenyl) (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]propanoate