(Z)-1-(4-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine
Formula:C24H23N3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-(4-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(4-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine |
| MolecularFormula | C24H23N3Br |
| Smiles | Brc1ccc(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)cc1 |
| InChI | InChI=1S/C24H22BrN3/c25-19-11-9-18(10-12-19)17-26-28-15-13-27(14-16-28)24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,17,24H,13-16H2/p+1 |
| InChIK | JEYYRFVFUFXRQW-UHFFFAOYSA-O |
| TotalMolweight | 433.372 |
| Molweight | 433.372 |
| MonoisotopicMass | 432.107533 |
| CLogP | 3.5243 |
| CLogS | -5.75 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 311.35 |
| Relative PSA | 0.10487 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 2.2184 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| 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)-1-(4-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine | 2 - (Z)-1-(4-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine
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