(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromothiophen-2-yl)methanimine
Formula:C16H19N3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromothiophen-2-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromothiophen-2-yl)methanimine |
| MolecularFormula | C16H19N3BrS |
| Smiles | Brc1ccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)s1 |
| InChI | InChI=1S/C16H18BrN3S/c17-16-7-6-15(21-16)12-18-20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1 |
| InChIK | XPJACMKDJCDBAU-UHFFFAOYSA-O |
| TotalMolweight | 365.318 |
| Molweight | 365.318 |
| MonoisotopicMass | 364.048303 |
| CLogP | 1.7058 |
| CLogS | -3.517 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 262.29 |
| Relative PSA | 0.2021 |
| PolarSurfaceArea | 48.28 |
| Druglikeness | 1.6629 |
| 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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