(3Z)-1-(3,4-dichlorophenyl)-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one
Formula:C16H11NO2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-1-(3,4-dichlorophenyl)-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one is not a drug-like molecule.
| MolName | (3Z)-1-(3,4-dichlorophenyl)-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one |
| MolecularFormula | C16H11NO2Cl4 |
| Smiles | O=C(C/C=N\OCc(ccc(Cl)c1)c1Cl)c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H11Cl4NO2/c17-12-3-1-11(14(19)8-12)9-23-21-6-5-16(22)10-2-4-13(18)15(20)7-10/h1-4,6-8H,5,9H2 |
| InChIK | CODJAOSOGBUUOM-UHFFFAOYSA-N |
| TotalMolweight | 391.08 |
| Molweight | 391.08 |
| MonoisotopicMass | 388.954387 |
| CLogP | 5.513 |
| CLogS | -6.924 |
| H Acceptors | 3 |
| TotalSurfaceArea | 274.73 |
| Relative PSA | 0.12576 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 0.97067 |
| 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 | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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