N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
Formula:C16H21N4O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide |
| MolecularFormula | C16H21N4O3Cl2 |
| Smiles | O=C(C(N/N=C\c(ccc(Cl)c1)c1Cl)=O)NCCC[NH+]1CCOCC1 |
| InChI | InChI=1S/C16H20Cl2N4O3/c17-13-3-2-12(14(18)10-13)11-20-21-16(24)15(23)19-4-1-5-22-6-8-25-9-7-22/h2-3,10-11H,1,4-9H2,(H,19,23)(H,21,24)/p+1 |
| InChIK | YLBCJMGVYYYBDT-UHFFFAOYSA-O |
| TotalMolweight | 388.274 |
| Molweight | 388.274 |
| MonoisotopicMass | 387.09907 |
| CLogP | -0.3393 |
| CLogS | -3.25 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 304.44 |
| Relative PSA | 0.28938 |
| PolarSurfaceArea | 84.23 |
| Druglikeness | 1.9783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide | 2 - N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
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