(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
Formula:C25H23N3F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine |
| MolecularFormula | C25H23N3F3 |
| Smiles | FC(c1ccc(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)cc1)(F)F |
| InChI | InChI=1S/C25H22F3N3/c26-25(27,28)19-11-9-18(10-12-19)17-29-31-15-13-30(14-16-31)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 | OBMMSIXSLVUGHO-UHFFFAOYSA-O |
| TotalMolweight | 422.473 |
| Molweight | 422.473 |
| MonoisotopicMass | 422.184406 |
| CLogP | 3.6474 |
| CLogS | -5.694 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 322.18 |
| Relative PSA | 0.10134 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | -3.1816 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 12 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine | 2 - (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
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