1-(2,4-dichlorophenyl)-N-[(1S,2Z)-2-hydroxyiminocyclohexyl]methanimine oxide
Formula:C13H14N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(2,4-dichlorophenyl)-N-[(1S,2Z)-2-hydroxyiminocyclohexyl]methanimine oxide is a drug-like molecule.
| MolName | 1-(2,4-dichlorophenyl)-N-[(1S,2Z)-2-hydroxyiminocyclohexyl]methanimine oxide |
| MolecularFormula | C13H14N2O2Cl2 |
| Smiles | [O-]/[N+](/[C@@H](CCCC1)/C1=N\O)=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C13H14Cl2N2O2/c14-10-6-5-9(11(15)7-10)8-17(19)13-4-2-1-3-12(13)16-18/h5-8,13,18H,1-4H2/b16-12-,17-8?/t13-/m0/s1 |
| InChIK | MODWJFHNSUOPKS-PPCMAQGWSA-N |
| TotalMolweight | 301.172 |
| Molweight | 301.172 |
| MonoisotopicMass | 300.043232 |
| CLogP | 3.9976 |
| CLogS | -2.85 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 218.09 |
| Relative PSA | 0.19254 |
| PolarSurfaceArea | 61.34 |
| Druglikeness | -8.4615 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - 1-(2,4-dichlorophenyl)-N-[(1S,2Z)-2-hydroxyiminocyclohexyl]methanimine oxide | 2 - 1-(2,4-dichlorophenyl)-N-[(1S,2Z)-2-hydroxyiminocyclohexyl]methanimine oxide
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