(E)-3-amino-3-morpholin-4-ylprop-2-enenitrile
Formula:C7H11N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-amino-3-morpholin-4-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-amino-3-morpholin-4-ylprop-2-enenitrile |
| MolecularFormula | C7H11N3O |
| Smiles | N/C(/N1CCOCC1)=C\C#N |
| InChI | InChI=1S/C7H11N3O/c8-2-1-7(9)10-3-5-11-6-4-10/h1H,3-6,9H2 |
| InChIK | NIJBZJPXHOOJAX-UHFFFAOYSA-N |
| TotalMolweight | 153.184 |
| Molweight | 153.184 |
| MonoisotopicMass | 153.090212 |
| CLogP | -0.7012 |
| CLogS | -1.883 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 130.28 |
| Relative PSA | 0.3253 |
| PolarSurfaceArea | 62.28 |
| Druglikeness | -2.7279 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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