2-morpholin-4-ium-4-yl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Formula:C11H15N4O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-morpholin-4-ium-4-yl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-morpholin-4-ium-4-yl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C11H15N4O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C[NH+]2CCOCC2)=O)o1)=O |
| InChI | InChI=1S/C11H14N4O5/c16-10(8-14-3-5-19-6-4-14)13-12-7-9-1-2-11(20-9)15(17)18/h1-2,7H,3-6,8H2,(H,13,16)/p+1 |
| InChIK | VMDOZZHWILGPKU-UHFFFAOYSA-O |
| TotalMolweight | 283.263 |
| Molweight | 283.263 |
| MonoisotopicMass | 283.104246 |
| CLogP | -1.1561 |
| CLogS | -2.408 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 230.23 |
| Relative PSA | 0.46966 |
| PolarSurfaceArea | 114.09 |
| Druglikeness | 1.26 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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