(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine
Formula:C16H19N3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine |
| MolecularFormula | C16H19N3ClS |
| Smiles | Clc1ccc(C[NH+](CC2)CCN2/N=C\c2cccs2)cc1 |
| InChI | InChI=1S/C16H18ClN3S/c17-15-5-3-14(4-6-15)13-19-7-9-20(10-8-19)18-12-16-2-1-11-21-16/h1-6,11-12H,7-10,13H2/p+1 |
| InChIK | PLIADARKKRSWPG-UHFFFAOYSA-O |
| TotalMolweight | 320.867 |
| Molweight | 320.867 |
| MonoisotopicMass | 320.098819 |
| CLogP | 1.3819 |
| CLogS | -3.402 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 259.08 |
| Relative PSA | 0.20461 |
| PolarSurfaceArea | 48.28 |
| Druglikeness | 5.4127 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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1 - (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine | 2 - (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine
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