(3Z)-3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one
Formula:C16H13NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one is a drug-like molecule.
| MolName | (3Z)-3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one |
| MolecularFormula | C16H13NO2Cl2 |
| Smiles | O=C(C/C=N\OCc(c(Cl)ccc1)c1Cl)c1ccccc1 |
| InChI | InChI=1S/C16H13Cl2NO2/c17-14-7-4-8-15(18)13(14)11-21-19-10-9-16(20)12-5-2-1-3-6-12/h1-8,10H,9,11H2 |
| InChIK | RPHXDRGVRZFVQF-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 | 0.66667 |
| 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 | 5 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one | 2 - (3Z)-3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off