2-[2-methoxy-4-[(Z)-morpholin-4-yliminomethyl]phenoxy]acetonitrile
Formula:C14H17N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-[2-methoxy-4-[(Z)-morpholin-4-yliminomethyl]phenoxy]acetonitrile is a drug-like molecule.
| MolName | 2-[2-methoxy-4-[(Z)-morpholin-4-yliminomethyl]phenoxy]acetonitrile |
| MolecularFormula | C14H17N3O3 |
| Smiles | COc(cc(/C=N\N1CCOCC1)cc1)c1OCC#N |
| InChI | InChI=1S/C14H17N3O3/c1-18-14-10-12(2-3-13(14)20-7-4-15)11-16-17-5-8-19-9-6-17/h2-3,10-11H,5-9H2,1H3 |
| InChIK | APNBREIFTTWTIX-UHFFFAOYSA-N |
| TotalMolweight | 275.307 |
| Molweight | 275.307 |
| MonoisotopicMass | 275.126992 |
| CLogP | 1.0034 |
| CLogS | -2.315 |
| H Acceptors | 6 |
| TotalSurfaceArea | 227.59 |
| Relative PSA | 0.25757 |
| PolarSurfaceArea | 67.08 |
| Druglikeness | -1.4475 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-methoxy-4-[(Z)-morpholin-4-yliminomethyl]phenoxy]acetonitrile | 2 - 2-[2-methoxy-4-[(Z)-morpholin-4-yliminomethyl]phenoxy]acetonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off