(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-bromophenyl)methanimine
Formula:C18H21N3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-bromophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-bromophenyl)methanimine |
| MolecularFormula | C18H21N3Br |
| Smiles | Brc1ccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)cc1 |
| InChI | InChI=1S/C18H20BrN3/c19-18-8-6-16(7-9-18)14-20-22-12-10-21(11-13-22)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2/p+1 |
| InChIK | RXTBFFWCGVIGEM-UHFFFAOYSA-O |
| TotalMolweight | 359.29 |
| Molweight | 359.29 |
| MonoisotopicMass | 358.091883 |
| CLogP | 1.6345 |
| CLogS | -3.49 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 266.35 |
| Relative PSA | 0.12258 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 2.0598 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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