(1E)-2-amino-N-anilino-2-piperidin-1-ium-1-ylideneethanimidoyl cyanide
Formula:C14H18N5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(1E)-2-amino-N-anilino-2-piperidin-1-ium-1-ylideneethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2-amino-N-anilino-2-piperidin-1-ium-1-ylideneethanimidoyl cyanide |
| MolecularFormula | C14H18N5 |
| Smiles | NC(/C(/C#N)=N/Nc1ccccc1)=[N+]1CCCCC1 |
| InChI | InChI=1S/C14H17N5/c15-11-13(14(16)19-9-5-2-6-10-19)18-17-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2,(H2,16,17)/p+1 |
| InChIK | JVKAXYHSTAUXKB-UHFFFAOYSA-O |
| TotalMolweight | 256.332 |
| Molweight | 256.332 |
| MonoisotopicMass | 256.15622 |
| CLogP | 1.8649 |
| CLogS | -2.226 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 206.23 |
| Relative PSA | 0.22596 |
| PolarSurfaceArea | 77.21 |
| Druglikeness | -6.5875 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | tert. immonium |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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