(Z,Z)-2-bromo-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine
Formula:C24H25N3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z,Z)-2-bromo-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,Z)-2-bromo-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine |
| MolecularFormula | C24H25N3Br |
| Smiles | Br/C(/C=N\N1CC[NH+](Cc2cccc3ccccc23)CC1)=C\c1ccccc1 |
| InChI | InChI=1S/C24H24BrN3/c25-23(17-20-7-2-1-3-8-20)18-26-28-15-13-27(14-16-28)19-22-11-6-10-21-9-4-5-12-24(21)22/h1-12,17-18H,13-16,19H2/p+1 |
| InChIK | WEVQENAYLUVJHK-UHFFFAOYSA-O |
| TotalMolweight | 435.388 |
| Molweight | 435.388 |
| MonoisotopicMass | 434.123183 |
| CLogP | 2.7146 |
| CLogS | -5.387 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 325.66 |
| Relative PSA | 0.10026 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | -1.3377 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z,Z)-2-bromo-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine | 2 - (Z,Z)-2-bromo-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine
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