(Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine
Formula:C28H28N3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine |
| MolecularFormula | C28H28N3 |
| Smiles | C(c1cccc2ccccc12)[NH+](CC1)CCN1/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C28H27N3/c1-2-7-24(8-3-1)25-15-13-23(14-16-25)21-29-31-19-17-30(18-20-31)22-27-11-6-10-26-9-4-5-12-28(26)27/h1-16,21H,17-20,22H2/p+1 |
| InChIK | BALHNVSZUFSSKM-UHFFFAOYSA-O |
| TotalMolweight | 406.551 |
| Molweight | 406.551 |
| MonoisotopicMass | 406.228322 |
| CLogP | 3.7629 |
| CLogS | -6.348 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 342.08 |
| Relative PSA | 0.095446 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 3.8498 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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