(3Z)-1-(4-bromophenyl)-3-[(2,6-dichlorophenyl)methoxyimino]propan-1-one
Formula:C16H12NO2BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-1-(4-bromophenyl)-3-[(2,6-dichlorophenyl)methoxyimino]propan-1-one is not a drug-like molecule.
| MolName | (3Z)-1-(4-bromophenyl)-3-[(2,6-dichlorophenyl)methoxyimino]propan-1-one |
| MolecularFormula | C16H12NO2BrCl2 |
| Smiles | O=C(C/C=N\OCc(c(Cl)ccc1)c1Cl)c(cc1)ccc1Br |
| InChI | InChI=1S/C16H12BrCl2NO2/c17-12-6-4-11(5-7-12)16(21)8-9-20-22-10-13-14(18)2-1-3-15(13)19/h1-7,9H,8,10H2 |
| InChIK | NDELRCLEJRQXIK-UHFFFAOYSA-N |
| TotalMolweight | 401.086 |
| Molweight | 401.086 |
| MonoisotopicMass | 398.942844 |
| CLogP | 5.0262 |
| CLogS | -6.286 |
| H Acceptors | 3 |
| TotalSurfaceArea | 262.52 |
| Relative PSA | 0.13161 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.81933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| 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 | 5 |
| StereoCon |
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