(3Z)-3-[(3,4-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one
Formula:C16H13NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(3,4-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one is a drug-like molecule.
| MolName | (3Z)-3-[(3,4-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one |
| MolecularFormula | C16H13NO2Cl2 |
| Smiles | O=C(C/C=N\OCc(cc1)cc(Cl)c1Cl)c1ccccc1 |
| InChI | InChI=1S/C16H13Cl2NO2/c17-14-7-6-12(10-15(14)18)11-21-19-9-8-16(20)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2 |
| InChIK | KPFHNLWBKKBCGH-UHFFFAOYSA-N |
| TotalMolweight | 322.19 |
| Molweight | 322.19 |
| MonoisotopicMass | 321.032333 |
| CLogP | 4.301 |
| CLogS | -5.452 |
| H Acceptors | 3 |
| TotalSurfaceArea | 243.89 |
| Relative PSA | 0.14166 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 0.97067 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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