[(E)-[amino(pyridin-3-yl)methylidene]amino] morpholine-4-carboxylate
Formula:C11H14N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyridin-3-yl)methylidene]amino] morpholine-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] morpholine-4-carboxylate |
| MolecularFormula | C11H14N4O3 |
| Smiles | N/C(/c1cnccc1)=N/OC(N1CCOCC1)=O |
| InChI | InChI=1S/C11H14N4O3/c12-10(9-2-1-3-13-8-9)14-18-11(16)15-4-6-17-7-5-15/h1-3,8H,4-7H2,(H2,12,14) |
| InChIK | MNXYTCXDWAWWGH-UHFFFAOYSA-N |
| TotalMolweight | 250.257 |
| Molweight | 250.257 |
| MonoisotopicMass | 250.106591 |
| CLogP | 0.5919 |
| CLogS | -1.455 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 193.1 |
| Relative PSA | 0.38498 |
| PolarSurfaceArea | 90.04 |
| Druglikeness | -3.0072 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-3-yl)methylidene]amino] morpholine-4-carboxylate | 2 - [(E)-[amino(pyridin-3-yl)methylidene]amino] morpholine-4-carboxylate
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