2-(azocan-1-ium-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C14H22N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azocan-1-ium-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(azocan-1-ium-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C14H22N3OS |
| Smiles | O=C(C[NH+]1CCCCCCC1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C14H21N3OS/c18-14(16-15-11-13-7-6-10-19-13)12-17-8-4-2-1-3-5-9-17/h6-7,10-11H,1-5,8-9,12H2,(H,16,18)/p+1 |
| InChIK | KWYGOCDHRZFXMB-UHFFFAOYSA-O |
| TotalMolweight | 280.415 |
| Molweight | 280.415 |
| MonoisotopicMass | 280.148357 |
| CLogP | 1.659 |
| CLogS | -3.18 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 244.09 |
| Relative PSA | 0.303 |
| 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 | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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