(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine
Formula:C22H22N3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine |
| MolecularFormula | C22H22N3S |
| Smiles | C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\c1cccs1 |
| InChI | InChI=1S/C22H21N3S/c1-3-9-20-18(7-1)19-8-2-4-10-21(19)22(20)24-11-13-25(14-12-24)23-16-17-6-5-15-26-17/h1-10,15-16,22H,11-14H2/p+1 |
| InChIK | JMGACQFWLUTIBU-UHFFFAOYSA-O |
| TotalMolweight | 360.504 |
| Molweight | 360.504 |
| MonoisotopicMass | 360.153442 |
| CLogP | 2.6657 |
| CLogS | -4.926 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 288.66 |
| Relative PSA | 0.18364 |
| PolarSurfaceArea | 48.28 |
| Druglikeness | 5.5424 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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1 - (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine | 2 - (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine
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