(2,4-dichlorophenyl) (3Z)-3-[(2,6-dichlorophenyl)methoxyimino]propanoate
Formula:C16H11NO3Cl4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2,4-dichlorophenyl) (3Z)-3-[(2,6-dichlorophenyl)methoxyimino]propanoate is not a drug-like molecule.
| MolName | (2,4-dichlorophenyl) (3Z)-3-[(2,6-dichlorophenyl)methoxyimino]propanoate |
| MolecularFormula | C16H11NO3Cl4 |
| Smiles | O=C(C/C=N\OCc(c(Cl)ccc1)c1Cl)Oc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H11Cl4NO3/c17-10-4-5-15(14(20)8-10)24-16(22)6-7-21-23-9-11-12(18)2-1-3-13(11)19/h1-5,7-8H,6,9H2 |
| InChIK | ZVUUOWQEGNKERE-UHFFFAOYSA-N |
| TotalMolweight | 407.079 |
| Molweight | 407.079 |
| MonoisotopicMass | 404.949302 |
| CLogP | 5.6285 |
| CLogS | -6.54 |
| H Acceptors | 4 |
| TotalSurfaceArea | 284.73 |
| Relative PSA | 0.15646 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -0.91401 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon |
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