4-[(E)-2-nitroethenyl]morpholin-4-ium
Formula:C6H11N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-nitroethenyl]morpholin-4-ium is a drug-like molecule.
| MolName | 4-[(E)-2-nitroethenyl]morpholin-4-ium |
| MolecularFormula | C6H11N2O3 |
| Smiles | [O-][N+](/C=C/[NH+]1CCOCC1)=O |
| InChI | InChI=1S/C6H10N2O3/c9-8(10)2-1-7-3-5-11-6-4-7/h1-2H,3-6H2/p+1 |
| InChIK | RMFYRMWFMLPCQK-UHFFFAOYSA-O |
| TotalMolweight | 159.164 |
| Molweight | 159.164 |
| MonoisotopicMass | 159.076968 |
| CLogP | -3.6424 |
| CLogS | -0.77 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 139.55 |
| Relative PSA | 0.41569 |
| PolarSurfaceArea | 59.49 |
| Druglikeness | -8.909 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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