4-[(Z)-piperidin-1-yliminomethyl]benzonitrile
Formula:C13H15N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-piperidin-1-yliminomethyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-piperidin-1-yliminomethyl]benzonitrile |
| MolecularFormula | C13H15N3 |
| Smiles | N#Cc1ccc(/C=N\N2CCCCC2)cc1 |
| InChI | InChI=1S/C13H15N3/c14-10-12-4-6-13(7-5-12)11-15-16-8-2-1-3-9-16/h4-7,11H,1-3,8-9H2 |
| InChIK | XRMUFENFBAAKSV-UHFFFAOYSA-N |
| TotalMolweight | 213.283 |
| Molweight | 213.283 |
| MonoisotopicMass | 213.126597 |
| CLogP | 2.4911 |
| CLogS | -3.493 |
| H Acceptors | 3 |
| TotalSurfaceArea | 185.33 |
| Relative PSA | 0.15443 |
| PolarSurfaceArea | 39.39 |
| Druglikeness | -2.0828 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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