(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine
Formula:C30H28N3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine |
| MolecularFormula | C30H28N3 |
| Smiles | C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C30H27N3/c1-2-8-24(9-3-1)25-16-14-23(15-17-25)22-31-33-20-18-32(19-21-33)30-28-12-6-4-10-26(28)27-11-5-7-13-29(27)30/h1-17,22,30H,18-21H2/p+1 |
| InChIK | VGQLRFOGNGBQPU-UHFFFAOYSA-O |
| TotalMolweight | 430.573 |
| Molweight | 430.573 |
| MonoisotopicMass | 430.228322 |
| CLogP | 4.4583 |
| CLogS | -7.002 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 352.48 |
| Relative PSA | 0.092629 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 4.0084 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 7 |
| Symmetricatoms | 12 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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