2-(azepan-1-ium-1-yl)-N-[(Z)-benzylideneamino]acetamide
Formula:C15H22N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azepan-1-ium-1-yl)-N-[(Z)-benzylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(azepan-1-ium-1-yl)-N-[(Z)-benzylideneamino]acetamide |
| MolecularFormula | C15H22N3O |
| Smiles | O=C(C[NH+]1CCCCCC1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H21N3O/c19-15(13-18-10-6-1-2-7-11-18)17-16-12-14-8-4-3-5-9-14/h3-5,8-9,12H,1-2,6-7,10-11,13H2,(H,17,19)/p+1 |
| InChIK | OSHMWAKPJXCZRH-UHFFFAOYSA-O |
| TotalMolweight | 260.36 |
| Molweight | 260.36 |
| MonoisotopicMass | 260.176287 |
| CLogP | 0.4166 |
| CLogS | -2.9 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 234.39 |
| Relative PSA | 0.22868 |
| PolarSurfaceArea | 45.9 |
| Druglikeness | -1.3141 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(azepan-1-ium-1-yl)-N-[(Z)-benzylideneamino]acetamide | 2 - 2-(azepan-1-ium-1-yl)-N-[(Z)-benzylideneamino]acetamide
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