(NE)-N-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]hydroxylamine
Formula:C12H14N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]hydroxylamine |
| MolecularFormula | C12H14N2OCl2 |
| Smiles | O/N=C(\c(ccc(Cl)c1)c1Cl)/N1CCCCC1 |
| InChI | InChI=1S/C12H14Cl2N2O/c13-9-4-5-10(11(14)8-9)12(15-17)16-6-2-1-3-7-16/h4-5,8,17H,1-3,6-7H2 |
| InChIK | HRNGWGNPIOCPIE-UHFFFAOYSA-N |
| TotalMolweight | 273.162 |
| Molweight | 273.162 |
| MonoisotopicMass | 272.048317 |
| CLogP | 4.3313 |
| CLogS | -4.062 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 199.02 |
| Relative PSA | 0.14149 |
| PolarSurfaceArea | 35.83 |
| Druglikeness | 0.58231 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (NE)-N-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]hydroxylamine | 2 - (NE)-N-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]hydroxylamine
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