N-[(4-chlorophenyl)-[(2E,3E)-3-[(4-chlorophenyl)methylidene]-2-hydroxyiminocyclohexyl]methyl]hydroxylamine
Formula:C20H20N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(4-chlorophenyl)-[(2E,3E)-3-[(4-chlorophenyl)methylidene]-2-hydroxyiminocyclohexyl]methyl]hydroxylamine is not a drug-like molecule.
| MolName | N-[(4-chlorophenyl)-[(2E,3E)-3-[(4-chlorophenyl)methylidene]-2-hydroxyiminocyclohexyl]methyl]hydroxylamine |
| MolecularFormula | C20H20N2O2Cl2 |
| Smiles | ONC(C(CCC/C1=C\c(cc2)ccc2Cl)/C1=N\O)c(cc1)ccc1Cl |
| InChI | InChI=1S/C20H20Cl2N2O2/c21-16-8-4-13(5-9-16)12-15-2-1-3-18(20(15)24-26)19(23-25)14-6-10-17(22)11-7-14/h4-12,18-19,23,25-26H,1-3H2 |
| InChIK | UBTZIGTZUQCBSM-UHFFFAOYSA-N |
| TotalMolweight | 391.297 |
| Molweight | 391.297 |
| MonoisotopicMass | 390.090182 |
| CLogP | 5.0509 |
| CLogS | -6.065 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 288.48 |
| Relative PSA | 0.17045 |
| PolarSurfaceArea | 64.85 |
| Druglikeness | -2.3085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
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1 - N-[(4-chlorophenyl)-[(2E,3E)-3-[(4-chlorophenyl)methylidene]-2-hydroxyiminocyclohexyl]methyl]hydroxylamine | 2 - N-[(4-chlorophenyl)-[(2E,3E)-3-[(4-chlorophenyl)methylidene]-2-hydroxyiminocyclohexyl]methyl]hydroxylamine
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