N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
Formula:C16H22N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide |
| MolecularFormula | C16H22N4O3Cl |
| Smiles | O=C(C(N/N=C\c(cccc1)c1Cl)=O)NCCC[NH+]1CCOCC1 |
| InChI | InChI=1S/C16H21ClN4O3/c17-14-5-2-1-4-13(14)12-19-20-16(23)15(22)18-6-3-7-21-8-10-24-11-9-21/h1-2,4-5,12H,3,6-11H2,(H,18,22)(H,20,23)/p+1 |
| InChIK | XNFQPYSGAOHASC-UHFFFAOYSA-O |
| TotalMolweight | 353.829 |
| Molweight | 353.829 |
| MonoisotopicMass | 353.138043 |
| CLogP | -0.9453 |
| CLogS | -2.514 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 289.02 |
| Relative PSA | 0.30482 |
| 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 | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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