4-[(2E)-2-nitro-2-pyrrolidin-2-ylideneethyl]morpholine
Formula:C10H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2E)-2-nitro-2-pyrrolidin-2-ylideneethyl]morpholine is a drug-like molecule.
| MolName | 4-[(2E)-2-nitro-2-pyrrolidin-2-ylideneethyl]morpholine |
| MolecularFormula | C10H17N3O3 |
| Smiles | [O-][N+](/C(/CN1CCOCC1)=C1/NCCC1)=O |
| InChI | InChI=1S/C10H17N3O3/c14-13(15)10(9-2-1-3-11-9)8-12-4-6-16-7-5-12/h11H,1-8H2 |
| InChIK | XABWRNLRQKHSGV-UHFFFAOYSA-N |
| TotalMolweight | 227.263 |
| Molweight | 227.263 |
| MonoisotopicMass | 227.126992 |
| CLogP | -1.1657 |
| CLogS | -1.153 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 174.93 |
| Relative PSA | 0.31687 |
| PolarSurfaceArea | 70.32 |
| Druglikeness | -4.7303 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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