(Z)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine
Formula:C26H26N3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine |
| MolecularFormula | C26H26N3 |
| Smiles | C(c1cccc2ccccc12)[NH+](CC1)CCN1/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C26H25N3/c1-3-13-25-21(7-1)9-5-11-23(25)19-27-29-17-15-28(16-18-29)20-24-12-6-10-22-8-2-4-14-26(22)24/h1-14,19H,15-18,20H2/p+1 |
| InChIK | MNVTVMZNVKBHBQ-UHFFFAOYSA-O |
| TotalMolweight | 380.513 |
| Molweight | 380.513 |
| MonoisotopicMass | 380.212672 |
| CLogP | 3.2981 |
| CLogS | -5.868 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 316.92 |
| Relative PSA | 0.10302 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 3.8498 |
| Mutagenic | none |
| 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 | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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