(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-thiophen-2-ylmethanimine
Formula:C16H20N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-thiophen-2-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-thiophen-2-ylmethanimine |
| MolecularFormula | C16H20N3S |
| Smiles | C(c1ccccc1)[NH+](CC1)CCN1/N=C\c1cccs1 |
| InChI | InChI=1S/C16H19N3S/c1-2-5-15(6-3-1)14-18-8-10-19(11-9-18)17-13-16-7-4-12-20-16/h1-7,12-13H,8-11,14H2/p+1 |
| InChIK | YVWDYPMRNJTENU-UHFFFAOYSA-O |
| TotalMolweight | 286.422 |
| Molweight | 286.422 |
| MonoisotopicMass | 286.137792 |
| CLogP | 0.7759 |
| CLogS | -2.666 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 243.66 |
| Relative PSA | 0.21756 |
| PolarSurfaceArea | 48.28 |
| Druglikeness | 5.3922 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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