(Z)-N-(azepan-1-yl)-1-thiophen-2-ylmethanimine
Formula:C11H16N2S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(Z)-N-(azepan-1-yl)-1-thiophen-2-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-(azepan-1-yl)-1-thiophen-2-ylmethanimine |
| MolecularFormula | C11H16N2S |
| Smiles | C(CCC1)CCN1/N=C\c1cccs1 |
| InChI | InChI=1S/C11H16N2S/c1-2-4-8-13(7-3-1)12-10-11-6-5-9-14-11/h5-6,9-10H,1-4,7-8H2 |
| InChIK | FRPQKUWSXLTFKR-UHFFFAOYSA-N |
| TotalMolweight | 208.328 |
| Molweight | 208.328 |
| MonoisotopicMass | 208.103418 |
| CLogP | 2.8641 |
| CLogS | -3 |
| H Acceptors | 2 |
| TotalSurfaceArea | 173.32 |
| Relative PSA | 0.20436 |
| PolarSurfaceArea | 43.84 |
| Druglikeness | 1.3641 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| StereoCon |
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