2-(azepan-1-ium-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C13H20N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azepan-1-ium-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(azepan-1-ium-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C13H20N3OS |
| Smiles | O=C(C[NH+]1CCCCCC1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C13H19N3OS/c17-13(11-16-7-3-1-2-4-8-16)15-14-10-12-6-5-9-18-12/h5-6,9-10H,1-4,7-8,11H2,(H,15,17)/p+1 |
| InChIK | AZFFWLMSBICRDG-UHFFFAOYSA-O |
| TotalMolweight | 266.388 |
| Molweight | 266.388 |
| MonoisotopicMass | 266.132707 |
| CLogP | 0.2832 |
| CLogS | -2.91 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 230.33 |
| Relative PSA | 0.3211 |
| PolarSurfaceArea | 74.14 |
| Druglikeness | 0.35167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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