4-[(Z)-morpholin-4-yliminomethyl]benzonitrile
Formula:C12H13N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[(Z)-morpholin-4-yliminomethyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-morpholin-4-yliminomethyl]benzonitrile |
| MolecularFormula | C12H13N3O |
| Smiles | N#Cc1ccc(/C=N\N2CCOCC2)cc1 |
| InChI | InChI=1S/C12H13N3O/c13-9-11-1-3-12(4-2-11)10-14-15-5-7-16-8-6-15/h1-4,10H,5-8H2 |
| InChIK | QOGVJAAQEFNGRG-UHFFFAOYSA-N |
| TotalMolweight | 215.255 |
| Molweight | 215.255 |
| MonoisotopicMass | 215.105862 |
| CLogP | 1.3271 |
| CLogS | -2.604 |
| H Acceptors | 4 |
| TotalSurfaceArea | 181.57 |
| Relative PSA | 0.2127 |
| PolarSurfaceArea | 48.62 |
| Druglikeness | -1.4144 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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