(4-chlorophenyl) (3Z)-3-[(2,6-dichlorophenyl)methoxyimino]propanoate
Formula:C16H12NO3Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-chlorophenyl) (3Z)-3-[(2,6-dichlorophenyl)methoxyimino]propanoate is not a drug-like molecule.
| MolName | (4-chlorophenyl) (3Z)-3-[(2,6-dichlorophenyl)methoxyimino]propanoate |
| MolecularFormula | C16H12NO3Cl3 |
| Smiles | O=C(C/C=N\OCc(c(Cl)ccc1)c1Cl)Oc(cc1)ccc1Cl |
| InChI | InChI=1S/C16H12Cl3NO3/c17-11-4-6-12(7-5-11)23-16(21)8-9-20-22-10-13-14(18)2-1-3-15(13)19/h1-7,9H,8,10H2 |
| InChIK | IOWDNVYSULZDQD-UHFFFAOYSA-N |
| TotalMolweight | 372.634 |
| Molweight | 372.634 |
| MonoisotopicMass | 370.988275 |
| CLogP | 5.0225 |
| CLogS | -5.804 |
| H Acceptors | 4 |
| TotalSurfaceArea | 269.31 |
| Relative PSA | 0.16542 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -0.91401 |
| 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 | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| StereoCon |
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