N-[(3,4-dichlorophenyl)-[(2Z,3E)-3-[(3,4-dichlorophenyl)methylidene]-2-hydroxyiminocyclohexyl]methyl]hydroxylamine
Formula:C20H18N2O2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(3,4-dichlorophenyl)-[(2Z,3E)-3-[(3,4-dichlorophenyl)methylidene]-2-hydroxyiminocyclohexyl]methyl]hydroxylamine is not a drug-like molecule.
| MolName | N-[(3,4-dichlorophenyl)-[(2Z,3E)-3-[(3,4-dichlorophenyl)methylidene]-2-hydroxyiminocyclohexyl]methyl]hydroxylamine |
| MolecularFormula | C20H18N2O2Cl4 |
| Smiles | ONC(C(CCC/C1=C\c(cc2)cc(Cl)c2Cl)/C1=N/O)c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C20H18Cl4N2O2/c21-15-6-4-11(9-17(15)23)8-12-2-1-3-14(19(12)25-27)20(26-28)13-5-7-16(22)18(24)10-13/h4-10,14,20,26-28H,1-3H2 |
| InChIK | WJLNMDAGYMKYBT-UHFFFAOYSA-N |
| TotalMolweight | 460.187 |
| Molweight | 460.187 |
| MonoisotopicMass | 458.012236 |
| CLogP | 6.2629 |
| CLogS | -7.537 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 319.32 |
| Relative PSA | 0.15398 |
| PolarSurfaceArea | 64.85 |
| Druglikeness | -2.3085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(3,4-dichlorophenyl)-[(2Z,3E)-3-[(3,4-dichlorophenyl)methylidene]-2-hydroxyiminocyclohexyl]methyl]hydroxylamine | 2 - N-[(3,4-dichlorophenyl)-[(2Z,3E)-3-[(3,4-dichlorophenyl)methylidene]-2-hydroxyiminocyclohexyl]methyl]hydroxylamine
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