(Z)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine
Formula:C15H16N3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-(5-bromothiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine |
| MolecularFormula | C15H16N3BrS |
| Smiles | Brc1ccc(/C=N\N(CC2)CCN2c2ccccc2)s1 |
| InChI | InChI=1S/C15H16BrN3S/c16-15-7-6-14(20-15)12-17-19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2 |
| InChIK | JVYSQNTYDVXITI-UHFFFAOYSA-N |
| TotalMolweight | 350.283 |
| Molweight | 350.283 |
| MonoisotopicMass | 349.024828 |
| CLogP | 3.8926 |
| CLogS | -4.039 |
| H Acceptors | 3 |
| TotalSurfaceArea | 234.49 |
| Relative PSA | 0.16619 |
| PolarSurfaceArea | 47.08 |
| Druglikeness | 4.0864 |
| 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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