(1E)-2-amino-N-anilino-2-(azepan-1-ium-1-ylidene)ethanimidoyl cyanide
Formula:C15H20N5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(1E)-2-amino-N-anilino-2-(azepan-1-ium-1-ylidene)ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2-amino-N-anilino-2-(azepan-1-ium-1-ylidene)ethanimidoyl cyanide |
| MolecularFormula | C15H20N5 |
| Smiles | NC(/C(/C#N)=N/Nc1ccccc1)=[N+]1CCCCCC1 |
| InChI | InChI=1S/C15H19N5/c16-12-14(19-18-13-8-4-3-5-9-13)15(17)20-10-6-1-2-7-11-20/h3-5,8-9H,1-2,6-7,10-11H2,(H2,17,18)/p+1 |
| InChIK | ABWZRYOSNRRNMN-UHFFFAOYSA-O |
| TotalMolweight | 270.359 |
| Molweight | 270.359 |
| MonoisotopicMass | 270.17187 |
| CLogP | 2.2069 |
| CLogS | -2.496 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 219.99 |
| Relative PSA | 0.21183 |
| PolarSurfaceArea | 77.21 |
| Druglikeness | -8.9175 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | tert. immonium |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - (1E)-2-amino-N-anilino-2-(azepan-1-ium-1-ylidene)ethanimidoyl cyanide | 2 - (1E)-2-amino-N-anilino-2-(azepan-1-ium-1-ylidene)ethanimidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off