(3E)-N-(3,4-dichlorophenyl)-3-[(2,4-dichlorophenyl)methoxyimino]propanamide
Formula:C16H12N2O2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-N-(3,4-dichlorophenyl)-3-[(2,4-dichlorophenyl)methoxyimino]propanamide is not a drug-like molecule.
| MolName | (3E)-N-(3,4-dichlorophenyl)-3-[(2,4-dichlorophenyl)methoxyimino]propanamide |
| MolecularFormula | C16H12N2O2Cl4 |
| Smiles | O=C(C/C=N/OCc(ccc(Cl)c1)c1Cl)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H12Cl4N2O2/c17-11-2-1-10(14(19)7-11)9-24-21-6-5-16(23)22-12-3-4-13(18)15(20)8-12/h1-4,6-8H,5,9H2,(H,22,23) |
| InChIK | KBYPEDHVABNRLU-UHFFFAOYSA-N |
| TotalMolweight | 406.095 |
| Molweight | 406.095 |
| MonoisotopicMass | 403.965286 |
| CLogP | 5.3455 |
| CLogS | -6.582 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.19 |
| Relative PSA | 0.16077 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.1589 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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