(Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine
Formula:C26H26N3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine |
| MolecularFormula | C26H26N3 |
| Smiles | C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C26H25N3/c1-2-9-21(10-3-1)11-8-16-27-29-19-17-28(18-20-29)26-24-14-6-4-12-22(24)23-13-5-7-15-25(23)26/h1-16,26H,17-20H2/p+1 |
| InChIK | YAGKEZIKQLVODH-UHFFFAOYSA-O |
| TotalMolweight | 380.513 |
| Molweight | 380.513 |
| MonoisotopicMass | 380.212672 |
| CLogP | 2.8174 |
| CLogS | -5.208 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 319.22 |
| Relative PSA | 0.10228 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 3.9646 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| 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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