(Z,Z)-2-bromo-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine
Formula:C26H25N3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z,Z)-2-bromo-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,Z)-2-bromo-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine |
| MolecularFormula | C26H25N3Br |
| Smiles | Br/C(/C=N\N(CC1)CC[NH+]1C1c(cccc2)c2-c2c1cccc2)=C\c1ccccc1 |
| InChI | InChI=1S/C26H24BrN3/c27-21(18-20-8-2-1-3-9-20)19-28-30-16-14-29(15-17-30)26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h1-13,18-19,26H,14-17H2/p+1 |
| InChIK | ISGBSPLELUKAAH-UHFFFAOYSA-O |
| TotalMolweight | 459.41 |
| Molweight | 459.41 |
| MonoisotopicMass | 458.123183 |
| CLogP | 3.41 |
| CLogS | -6.041 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 336.06 |
| Relative PSA | 0.097155 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | -1.1735 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z,Z)-2-bromo-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine | 2 - (Z,Z)-2-bromo-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine
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