(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromo-2-fluorophenyl)methanimine
Formula:C18H20N3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromo-2-fluorophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromo-2-fluorophenyl)methanimine |
| MolecularFormula | C18H20N3BrF |
| Smiles | Fc(cc1)c(/C=N\N2CC[NH+](Cc3ccccc3)CC2)cc1Br |
| InChI | InChI=1S/C18H19BrFN3/c19-17-6-7-18(20)16(12-17)13-21-23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1 |
| InChIK | TZLWFTIOHJWNHS-UHFFFAOYSA-O |
| TotalMolweight | 377.28 |
| Molweight | 377.28 |
| MonoisotopicMass | 376.082461 |
| CLogP | 1.7353 |
| CLogS | -3.804 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 272.7 |
| Relative PSA | 0.11973 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 0.71978 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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