(3Z)-1-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxyimino]propan-1-one
Formula:C16H12NO2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-1-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxyimino]propan-1-one is a drug-like molecule.
| MolName | (3Z)-1-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxyimino]propan-1-one |
| MolecularFormula | C16H12NO2Cl3 |
| Smiles | O=C(C/C=N\OCc(cc1)cc(Cl)c1Cl)c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H12Cl3NO2/c17-13-4-2-12(3-5-13)16(21)7-8-20-22-10-11-1-6-14(18)15(19)9-11/h1-6,8-9H,7,10H2 |
| InChIK | LTFGJHUOYHOJIX-UHFFFAOYSA-N |
| TotalMolweight | 356.635 |
| Molweight | 356.635 |
| MonoisotopicMass | 354.99336 |
| CLogP | 4.907 |
| CLogS | -6.188 |
| H Acceptors | 3 |
| TotalSurfaceArea | 259.31 |
| Relative PSA | 0.13324 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 0.97067 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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