(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-naphthalen-1-ylmethanimine
Formula:C28H26N3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-naphthalen-1-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-naphthalen-1-ylmethanimine |
| MolecularFormula | C28H26N3 |
| Smiles | C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C28H25N3/c1-2-11-23-21(8-1)9-7-10-22(23)20-29-31-18-16-30(17-19-31)28-26-14-5-3-12-24(26)25-13-4-6-15-27(25)28/h1-15,20,28H,16-19H2/p+1 |
| InChIK | CTGXXIUKDMUJTI-UHFFFAOYSA-O |
| TotalMolweight | 404.535 |
| Molweight | 404.535 |
| MonoisotopicMass | 404.212672 |
| CLogP | 3.9935 |
| CLogS | -6.522 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 327.32 |
| Relative PSA | 0.099749 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 4.0084 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| 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-naphthalen-1-ylmethanimine | 2 - (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-naphthalen-1-ylmethanimine
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