phenyl (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]propanoate
Formula:C16H13NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
phenyl (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]propanoate is a drug-like molecule.
| MolName | phenyl (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]propanoate |
| MolecularFormula | C16H13NO3Cl2 |
| Smiles | O=C(C/C=N\OCc(ccc(Cl)c1)c1Cl)Oc1ccccc1 |
| InChI | InChI=1S/C16H13Cl2NO3/c17-13-7-6-12(15(18)10-13)11-21-19-9-8-16(20)22-14-4-2-1-3-5-14/h1-7,9-10H,8,11H2 |
| InChIK | LHRSXURPPCKUID-UHFFFAOYSA-N |
| TotalMolweight | 338.189 |
| Molweight | 338.189 |
| MonoisotopicMass | 337.027248 |
| CLogP | 4.4165 |
| CLogS | -5.068 |
| H Acceptors | 4 |
| TotalSurfaceArea | 253.89 |
| Relative PSA | 0.17547 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -0.91401 |
| 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 | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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