(Z)-1-(5-bromothiophen-2-yl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine
Formula:C22H21N3BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-(5-bromothiophen-2-yl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(5-bromothiophen-2-yl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine |
| MolecularFormula | C22H21N3BrS |
| Smiles | Brc1ccc(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)s1 |
| InChI | InChI=1S/C22H20BrN3S/c23-21-10-9-16(27-21)15-24-26-13-11-25(12-14-26)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-10,15,22H,11-14H2/p+1 |
| InChIK | OWJQEZCCOFTTTF-UHFFFAOYSA-O |
| TotalMolweight | 439.4 |
| Molweight | 439.4 |
| MonoisotopicMass | 438.063953 |
| CLogP | 3.5956 |
| CLogS | -5.777 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 307.29 |
| Relative PSA | 0.17251 |
| PolarSurfaceArea | 48.28 |
| Druglikeness | 1.8179 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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