(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylmethanimine
Formula:C15H16N3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylmethanimine is a drug-like molecule.
| MolName | (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylmethanimine |
| MolecularFormula | C15H16N3ClS |
| Smiles | Clc(cc1)ccc1N(CC1)CCN1/N=C/c1cccs1 |
| InChI | InChI=1S/C15H16ClN3S/c16-13-3-5-14(6-4-13)18-7-9-19(10-8-18)17-12-15-2-1-11-20-15/h1-6,11-12H,7-10H2 |
| InChIK | RXEMUGATXIBAJW-UHFFFAOYSA-N |
| TotalMolweight | 305.832 |
| Molweight | 305.832 |
| MonoisotopicMass | 305.075344 |
| CLogP | 3.5687 |
| CLogS | -3.924 |
| H Acceptors | 3 |
| TotalSurfaceArea | 231.28 |
| Relative PSA | 0.1685 |
| PolarSurfaceArea | 47.08 |
| Druglikeness | 7.7337 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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