(E)-N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
Formula:C15H17N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine is a drug-like molecule.
| MolName | (E)-N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine |
| MolecularFormula | C15H17N3S |
| Smiles | C(CN(CC1)/N=C/c2cccs2)N1c1ccccc1 |
| InChI | InChI=1S/C15H17N3S/c1-2-5-14(6-3-1)17-8-10-18(11-9-17)16-13-15-7-4-12-19-15/h1-7,12-13H,8-11H2 |
| InChIK | ITCIBPUXUFQHKN-UHFFFAOYSA-N |
| TotalMolweight | 271.387 |
| Molweight | 271.387 |
| MonoisotopicMass | 271.114317 |
| CLogP | 2.9627 |
| CLogS | -3.188 |
| H Acceptors | 3 |
| TotalSurfaceArea | 215.86 |
| Relative PSA | 0.18053 |
| PolarSurfaceArea | 47.08 |
| Druglikeness | 7.7396 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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1 - (E)-N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine | 2 - (E)-N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
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